4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;3,3-dimethyl-6-propan-2-yl-1,4-dihydroquinolin-2-one;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;bis(2-methylidene-5-propan-2-yl-1,3-dihydroindole);2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;6-propan-2-yl-3H-1,3-benzoxazol-2-one;6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline

C239H304N27O6+ — CID 158137820

IUPAC4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;3,3-dimethyl-6-propan-2-yl-1,4-dihydroquinolin-2-one;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;bis(2-methylidene-5-propan-2-yl-1,3-dihydroindole);2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;6-propan-2-yl-3H-1,3-benzoxazol-2-one;6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESC=C1C=Cc2cc(C(C)C)ccc2N1.C=C1C=Nc2cc(C(C)C)ccc2N1.C=C1CC(C)(C)c2cc(C(C)C)ccc2N1.C=C1CCc2cc(C(C)C)ccc2N1.C=C1CCc2cc(C(C)C)ccc2N1C.C=C1COc2cc(C(C)C)ccc2N1.C=C1Cc2cc(C(C)C)ccc2N1.C=C1Cc2cc(C(C)C)ccc2N1.C=C1Nc2ccc(C(C)C)cc2C(C)(C)O1.C=C1Nc2ccc(C(C)C)cc2CO1.CC(C)c1ccc2[nH]c(=O)oc2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CC(C)(C)C(=O)N2.CC(C)c1ccc2c(c1)CCCN2.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cnc2[nH]ccc2c1.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1c2cc[nH]c2nc[n+]1C(C)C
InChIInChI=1S/C15H21N.2C14H19NO.C14H19N.C13H17N.C13H15N.C12H14N2.2C12H15NO.2C12H15N.C12H17N.2C11H14N2.2C11H13N.C10H13N3.2C10H12N2.C10H11NO2/c1-10(2)12-6-7-14-13(8-12)15(4,5)9-11(3)16-14;1-9(2)11-6-7-13-12(8-11)14(4,5)16-10(3)15-13;1-9(2)10-5-6-12-11(7-10)8-14(3,4)13(16)15-12;1-10(2)12-7-8-14-13(9-12)6-5-11(3)15(14)4;2*1-9(2)11-6-7-13-12(8-11)5-4-10(3)14-13;1-8(2)10-4-5-11-12(6-10)13-7-9(3)14-11;1-8(2)10-4-5-12-11(6-10)7-14-9(3)13-12;1-8(2)10-4-5-11-12(6-10)14-7-9(3)13-11;2*1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;2*1-7(2)9-4-5-11-10(6-9)8(3)12-13-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)13-6-12-10-9(8(13)3)4-5-11-10;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-6(2)7-3-4-8-9(5-7)13-10(12)11-8/h6-8,10,16H,3,9H2,1-2,4-5H3;6-9,15H,3H2,1-2,4-5H3;5-7,9H,8H2,1-4H3,(H,15,16);7-10H,3,5-6H2,1-2,4H3;6-9,14H,3-5H2,1-2H3;4-9,14H,3H2,1-2H3;4-8,14H,3H2,1-2H3;2*4-6,8,13H,3,7H2,1-2H3;2*4-5,7-8,13H,3,6H2,1-2H3;5-6,8-9,13H,3-4,7H2,1-2H3;2*4-7H,1-3H3,(H,12,13);2*3-8,12H,1-2H3;4-7H,1-3H3;2*3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,11,12)/p+1
InChIKeyBPCUOKFSKDZOLP-UHFFFAOYSA-O
MW3651.24 g/mol
LogP64.34
Rot. Bonds20

About 4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;3,3-dimethyl-6-propan-2-yl-1,4-dihydroquinolin-2-one;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;bis(2-methylidene-5-propan-2-yl-1,3-dihydroindole);2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;6-propan-2-yl-3H-1,3-benzoxazol-2-one;6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline

4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;3,3-dimethyl-6-propan-2-yl-1,4-dihydroquinolin-2-one;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;bis(2-methylidene-5-propan-2-yl-1,3-dihydroindole);2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;6-propan-2-yl-3H-1,3-benzoxazol-2-one;6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline (PubChem CID 158137820) has the molecular formula C239H304N27O6+ and a molecular weight of 3651.24 g/mol. Its IUPAC name is 4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;3,3-dimethyl-6-propan-2-yl-1,4-dihydroquinolin-2-one;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;bis(2-methylidene-5-propan-2-yl-1,3-dihydroindole);2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;6-propan-2-yl-3H-1,3-benzoxazol-2-one;6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;3,3-dimethyl-6-propan-2-yl-1,4-dihydroquinolin-2-one;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;bis(2-methylidene-5-propan-2-yl-1,3-dihydroindole);2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;6-propan-2-yl-3H-1,3-benzoxazol-2-one;6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline
PubChem CID158137820
Molecular FormulaC239H304N27O6+
Molecular Weight3651.24 g/mol
Exact Mass3648.43
IUPAC Name4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;3,3-dimethyl-6-propan-2-yl-1,4-dihydroquinolin-2-one;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;bis(2-methylidene-5-propan-2-yl-1,3-dihydroindole);2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;6-propan-2-yl-3H-1,3-benzoxazol-2-one;6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESC=C1C=Cc2cc(C(C)C)ccc2N1.C=C1C=Nc2cc(C(C)C)ccc2N1.C=C1CC(C)(C)c2cc(C(C)C)ccc2N1.C=C1CCc2cc(C(C)C)ccc2N1.C=C1CCc2cc(C(C)C)ccc2N1C.C=C1COc2cc(C(C)C)ccc2N1.C=C1Cc2cc(C(C)C)ccc2N1.C=C1Cc2cc(C(C)C)ccc2N1.C=C1Nc2ccc(C(C)C)cc2C(C)(C)O1.C=C1Nc2ccc(C(C)C)cc2CO1.CC(C)c1ccc2[nH]c(=O)oc2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CC(C)(C)C(=O)N2.CC(C)c1ccc2c(c1)CCCN2.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cnc2[nH]ccc2c1.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1c2cc[nH]c2nc[n+]1C(C)C
InChIInChI=1S/C15H21N.2C14H19NO.C14H19N.C13H17N.C13H15N.C12H14N2.2C12H15NO.2C12H15N.C12H17N.2C11H14N2.2C11H13N.C10H13N3.2C10H12N2.C10H11NO2/c1-10(2)12-6-7-14-13(8-12)15(4,5)9-11(3)16-14;1-9(2)11-6-7-13-12(8-11)14(4,5)16-10(3)15-13;1-9(2)10-5-6-12-11(7-10)8-14(3,4)13(16)15-12;1-10(2)12-7-8-14-13(9-12)6-5-11(3)15(14)4;2*1-9(2)11-6-7-13-12(8-11)5-4-10(3)14-13;1-8(2)10-4-5-11-12(6-10)13-7-9(3)14-11;1-8(2)10-4-5-12-11(6-10)7-14-9(3)13-12;1-8(2)10-4-5-11-12(6-10)14-7-9(3)13-11;2*1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;2*1-7(2)9-4-5-11-10(6-9)8(3)12-13-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)13-6-12-10-9(8(13)3)4-5-11-10;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-6(2)7-3-4-8-9(5-7)13-10(12)11-8/h6-8,10,16H,3,9H2,1-2,4-5H3;6-9,15H,3H2,1-2,4-5H3;5-7,9H,8H2,1-4H3,(H,15,16);7-10H,3,5-6H2,1-2,4H3;6-9,14H,3-5H2,1-2H3;4-9,14H,3H2,1-2H3;4-8,14H,3H2,1-2H3;2*4-6,8,13H,3,7H2,1-2H3;2*4-5,7-8,13H,3,6H2,1-2H3;5-6,8-9,13H,3-4,7H2,1-2H3;2*4-7H,1-3H3,(H,12,13);2*3-8,12H,1-2H3;4-7H,1-3H3;2*3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,11,12)/p+1
InChIKeyBPCUOKFSKDZOLP-UHFFFAOYSA-O
XLogP64.34
TPSA417.55 Ų
H-Bond Donors19
H-Bond Acceptors23
Rotatable Bonds20
Heavy Atoms272
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003651.24
LogP ≤ 564.34
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;3,3-dimethyl-6-propan-2-yl-1,4-dihydroquinolin-2-one;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;bis(2-methylidene-5-propan-2-yl-1,3-dihydroindole);2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;6-propan-2-yl-3H-1,3-benzoxazol-2-one;6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[(2S)-1-[(2S)-2-[5-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6-[3-(1H-pyrazol-4-yl)phenyl]-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 127048246
6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methylidene-3H-1-benzofuran;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;7-tert-butyl-2-methylidene-1,4-dihydroquinolin-3-one;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;methane;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane
CID 157938251
1-[3-(2,1,3-benzothiadiazol-5-yl)-1H-isoindol-5-yl]-2-[(3R,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3R,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;N-[1-[2-(2,6-difluorophenyl)ethyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[(3S,6R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(methoxymethyl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 159449896
tert-butyl 5-tert-butylindazole-1-carboxylate;tert-butyl 5-(4-tert-butylphenoxy)pentanoate;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;5-tert-butyl-1H-isoindole;5-tert-butyl-1-methylindazole;1-[3-(3-tert-butylphenoxy)propyl]imidazole;4-[3-(3-tert-butylphenoxy)propyl]morpholine;4-(4-tert-butylphenyl)morpholine;1-tert-butyl-3-(trifluoromethoxy)benzene
CID 159916769
tert-butyl 5-tert-butylindazole-1-carboxylate;tert-butyl N-[3-(4-tert-butylphenoxy)propyl]carbamate;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;5-tert-butyl-1H-indazole;5-tert-butyl-1-methylindazole;1-[3-(3-tert-butylphenoxy)propyl]imidazole;4-(4-tert-butylphenyl)morpholine;1-tert-butyl-3-(trifluoromethoxy)benzene
CID 160733895
tert-butyl 5-tert-butylindazole-1-carboxylate;tert-butyl N-[3-(4-tert-butylphenoxy)propyl]carbamate;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;5-tert-butyl-1H-indazole;5-tert-butyl-1-methylindazole;1-[3-(3-tert-butylphenoxy)propyl]imidazole;4-[3-(3-tert-butylphenoxy)propyl]morpholine;4-(4-tert-butylphenyl)morpholine;1-(3-tert-butylpiperidin-1-yl)ethanone;1-tert-butyl-3-(trifluoromethoxy)benzene
CID 161857485
1-[7-[[(3S)-4-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]benzoyl]-3-methylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
CID 170735849
(2S)-1-[(2S)-2-[4-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]-N-[(1R)-2-hydroxy-1-[4-(5-methylpyrimidin-4-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 170954616
(2S,4R)-1-[(2S)-2-[4-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-3-pyridinyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 170954623
(2S,4R)-1-[(2S)-2-[4-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]-N-[(1S)-1-[4-(3,5-difluoro-4-pyridinyl)phenyl]ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 170954630
(2S,4R)-1-[(2S)-2-[4-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]-N-[(1S)-1-[4-(3-fluoro-2-pyridinyl)phenyl]ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 170954691
(2S,4R)-1-[(2S)-2-[4-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1R)-2-hydroxy-1-[4-(4-methylpyridazin-3-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 170954766

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;3,3-dimethyl-6-propan-2-yl-1,4-dihydroquinolin-2-one;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;bis(2-methylidene-5-propan-2-yl-1,3-dihydroindole);2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;6-propan-2-yl-3H-1,3-benzoxazol-2-one;6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;3,3-dimethyl-6-propan-2-yl-1,4-dihydroquinolin-2-one;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;bis(2-methylidene-5-propan-2-yl-1,3-dihydroindole);2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;6-propan-2-yl-3H-1,3-benzoxazol-2-one;6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline (CID 158137820) is 4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;3,3-dimethyl-6-propan-2-yl-1,4-dihydroquinolin-2-one;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;bis(2-methylidene-5-propan-2-yl-1,3-dihydroindole);2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;6-propan-2-yl-3H-1,3-benzoxazol-2-one;6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;3,3-dimethyl-6-propan-2-yl-1,4-dihydroquinolin-2-one;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;bis(2-methylidene-5-propan-2-yl-1,3-dihydroindole);2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;6-propan-2-yl-3H-1,3-benzoxazol-2-one;6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;3,3-dimethyl-6-propan-2-yl-1,4-dihydroquinolin-2-one;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;bis(2-methylidene-5-propan-2-yl-1,3-dihydroindole);2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;6-propan-2-yl-3H-1,3-benzoxazol-2-one;6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline is C=C1C=Cc2cc(C(C)C)ccc2N1.C=C1C=Nc2cc(C(C)C)ccc2N1.C=C1CC(C)(C)c2cc(C(C)C)ccc2N1.C=C1CCc2cc(C(C)C)ccc2N1.C=C1CCc2cc(C(C)C)ccc2N1C.C=C1COc2cc(C(C)C)ccc2N1.C=C1Cc2cc(C(C)C)ccc2N1.C=C1Cc2cc(C(C)C)ccc2N1.C=C1Nc2ccc(C(C)C)cc2C(C)(C)O1.C=C1Nc2ccc(C(C)C)cc2CO1.CC(C)c1ccc2[nH]c(=O)oc2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CC(C)(C)C(=O)N2.CC(C)c1ccc2c(c1)CCCN2.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cnc2[nH]ccc2c1.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1c2cc[nH]c2nc[n+]1C(C)C.
What is the InChIKey of 4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;3,3-dimethyl-6-propan-2-yl-1,4-dihydroquinolin-2-one;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;bis(2-methylidene-5-propan-2-yl-1,3-dihydroindole);2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;6-propan-2-yl-3H-1,3-benzoxazol-2-one;6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The InChIKey is BPCUOKFSKDZOLP-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H21N.2C14H19NO.C14H19N.C13H17N.C13H15N.C12H14N2.2C12H15NO.2C12H15N.C12H17N.2C11H14N2.2C11H13N.C10H13N3.2C10H12N2.C10H11NO2/c1-10(2)12-6-7-14-13(8-12)15(4,5)9-11(3)16-14;1-9(2)11-6-7-13-12(8-11)14(4,5)16-10(3)15-13;1-9(2)10-5-6-12-11(7-10)8-14(3,4)13(16)15-12;1-10(2)12-7-8-14-13(9-12)6-5-11(3)15(14)4;2*1-9(2)11-6-7-13-12(8-11)5-4-10(3)14-13;1-8(2)10-4-5-11-12(6-10)13-7-9(3)14-11;1-8(2)10-4-5-12-11(6-10)7-14-9(3)13-12;1-8(2)10-4-5-11-12(6-10)14-7-9(3)13-11;2*1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;2*1-7(2)9-4-5-11-10(6-9)8(3)12-13-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)13-6-12-10-9(8(13)3)4-5-11-10;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-6(2)7-3-4-8-9(5-7)13-10(12)11-8/h6-8,10,16H,3,9H2,1-2,4-5H3;6-9,15H,3H2,1-2,4-5H3;5-7,9H,8H2,1-4H3,(H,15,16);7-10H,3,5-6H2,1-2,4H3;6-9,14H,3-5H2,1-2H3;4-9,14H,3H2,1-2H3;4-8,14H,3H2,1-2H3;2*4-6,8,13H,3,7H2,1-2H3;2*4-5,7-8,13H,3,6H2,1-2H3;5-6,8-9,13H,3-4,7H2,1-2H3;2*4-7H,1-3H3,(H,12,13);2*3-8,12H,1-2H3;4-7H,1-3H3;2*3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,11,12)/p+1.
What are the key properties of 4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;3,3-dimethyl-6-propan-2-yl-1,4-dihydroquinolin-2-one;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;bis(2-methylidene-5-propan-2-yl-1,3-dihydroindole);2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;6-propan-2-yl-3H-1,3-benzoxazol-2-one;6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline?
4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;3,3-dimethyl-6-propan-2-yl-1,4-dihydroquinolin-2-one;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;bis(2-methylidene-5-propan-2-yl-1,3-dihydroindole);2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;6-propan-2-yl-3H-1,3-benzoxazol-2-one;6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline has a molecular weight of 3651.24 g/mol, XLogP of 64.34, 20 rotatable bonds, 19 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;3,3-dimethyl-6-propan-2-yl-1,4-dihydroquinolin-2-one;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;bis(2-methylidene-5-propan-2-yl-1,3-dihydroindole);2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;bis(3-methyl-5-propan-2-yl-2H-indazole);4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;6-propan-2-yl-3H-1,3-benzoxazol-2-one;6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 158137820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).