7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;4-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-1-methylquinolin-2-one;6-tert-butyl-1H-quinolin-2-one;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one

C176H228N20O6 — CID 158766864

IUPAC7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;4-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-1-methylquinolin-2-one;6-tert-butyl-1H-quinolin-2-one;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one
SMILESCC(C)(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)OCC(=O)N2.CC(C)c1ccc2c(c1)CCC(=O)N2C.Cn1c(=O)ccc2cc(C(C)(C)C)ccc21.Cn1ccc2c(C(C)(C)C)cccc21.Cn1ccc2cc(C(C)(C)C)ccc21.Cn1ccc2ccc(C(C)(C)C)cc21.Cn1cnc2c(C(C)(C)C)cccc21.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1cnc2ccc(C(C)(C)C)cc21.Cn1ncc2c(C(C)(C)C)cccc21.Cn1ncc2cc(C(C)(C)C)ccc21.Cn1ncc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C14H17NO.C13H17NO.C13H15NO.C13H17NO.3C13H17N.6C12H16N2.C12H15NO2/c1-14(2,3)11-6-7-12-10(9-11)5-8-13(16)15(12)4;2*1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-9(2)10-4-6-12-11(8-10)5-7-13(15)14(12)3;1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-13(2,3)11-6-5-10-7-8-14(4)12(10)9-11;1-13(2,3)11-6-5-7-12-10(11)8-9-14(12)4;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-12(2,3)9-5-6-10-11(7-9)14(4)8-13-10;1-12(2,3)10-6-5-7-11-9(10)8-13-14(11)4;1-12(2,3)9-6-5-7-10-11(9)13-8-14(10)4;1-12(2,3)8-4-5-9-10(6-8)15-7-11(14)13-9/h5-9H,1-4H3;5-6,8H,4,7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4,6,8-9H,5,7H2,1-3H3;3*5-9H,1-4H3;6*5-8H,1-4H3;4-6H,7H2,1-3H3,(H,13,14)
InChIKeyIPJGKPZUDPNIKO-UHFFFAOYSA-N
MW2719.89 g/mol
LogP41.22
Rot. Bonds1

About 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;4-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-1-methylquinolin-2-one;6-tert-butyl-1H-quinolin-2-one;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one

7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;4-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-1-methylquinolin-2-one;6-tert-butyl-1H-quinolin-2-one;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one (PubChem CID 158766864) has the molecular formula C176H228N20O6 and a molecular weight of 2719.89 g/mol. Its IUPAC name is 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;4-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-1-methylquinolin-2-one;6-tert-butyl-1H-quinolin-2-one;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;4-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-1-methylquinolin-2-one;6-tert-butyl-1H-quinolin-2-one;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one
PubChem CID158766864
Molecular FormulaC176H228N20O6
Molecular Weight2719.89 g/mol
Exact Mass2717.82
IUPAC Name7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;4-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-1-methylquinolin-2-one;6-tert-butyl-1H-quinolin-2-one;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one
SMILESCC(C)(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)OCC(=O)N2.CC(C)c1ccc2c(c1)CCC(=O)N2C.Cn1c(=O)ccc2cc(C(C)(C)C)ccc21.Cn1ccc2c(C(C)(C)C)cccc21.Cn1ccc2cc(C(C)(C)C)ccc21.Cn1ccc2ccc(C(C)(C)C)cc21.Cn1cnc2c(C(C)(C)C)cccc21.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1cnc2ccc(C(C)(C)C)cc21.Cn1ncc2c(C(C)(C)C)cccc21.Cn1ncc2cc(C(C)(C)C)ccc21.Cn1ncc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C14H17NO.C13H17NO.C13H15NO.C13H17NO.3C13H17N.6C12H16N2.C12H15NO2/c1-14(2,3)11-6-7-12-10(9-11)5-8-13(16)15(12)4;2*1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-9(2)10-4-6-12-11(8-10)5-7-13(15)14(12)3;1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-13(2,3)11-6-5-10-7-8-14(4)12(10)9-11;1-13(2,3)11-6-5-7-12-10(11)8-9-14(12)4;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-12(2,3)9-5-6-10-11(7-9)14(4)8-13-10;1-12(2,3)10-6-5-7-11-9(10)8-13-14(11)4;1-12(2,3)9-6-5-7-10-11(9)13-8-14(10)4;1-12(2,3)8-4-5-9-10(6-8)15-7-11(14)13-9/h5-9H,1-4H3;5-6,8H,4,7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4,6,8-9H,5,7H2,1-3H3;3*5-9H,1-4H3;6*5-8H,1-4H3;4-6H,7H2,1-3H3,(H,13,14)
InChIKeyIPJGKPZUDPNIKO-UHFFFAOYSA-N
XLogP41.22
TPSA264.31 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds1
Heavy Atoms202
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002719.89
LogP ≤ 541.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;4-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-1-methylquinolin-2-one;6-tert-butyl-1H-quinolin-2-one;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[1-[[2-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenoxy]ethyl-methylamino]methyl]-3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-indol-2-yl]pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137103195
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
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 158986076
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
8-tert-butylisoquinoline;4-tert-butyl-2-(4-methoxyphenyl)-3H-isoindol-1-one;1-tert-butyl-6-(1-methylpyrazol-4-yl)indole;4-tert-butyl-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;8-tert-butyl-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridine;5-tert-butylquinazolin-2-amine;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;8-tert-butyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
CID 160208400
1-cyclobutyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)benzimidazol-2-one;1-(1-methylindazol-5-yl)-3-propan-2-ylpyridin-2-one;1-methyl-3-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazol-2-one;1-methyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,5-b]pyridine;2-(4-propan-2-yl-2-pyridinyl)-2,6-naphthyridin-1-one;7-(4-propan-2-yl-2-pyridinyl)-1,7-naphthyridin-8-one;7-(4-propan-2-yl-2-pyridinyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one;5-(4-propan-2-yl-2-pyridinyl)-1-(trifluoromethyl)indazole
CID 161460135
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-cyclobutyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)benzimidazol-2-one;1-(1-methylindazol-5-yl)-3-propan-2-ylpyridin-2-one;1-methyl-3-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazol-2-one;1-methyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,5-b]pyridine;7-(4-propan-2-yl-2-pyridinyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one;5-(4-propan-2-yl-2-pyridinyl)-1-(trifluoromethyl)indazole
CID 161895978
(2S,4R)-1-[(2S)-2-[4-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-2,5-dimethylindazol-4-yl)-2-[(2S)-2-methoxypropoxy]quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]-N-[(1R)-1-[4-(3-fluoro-4-pyridinyl)phenyl]-2-hydroxyethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 170955057
(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-[(2S)-2-methoxypropoxy]quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]-N-[(1R)-2-hydroxy-1-[4-methyl-4-(2-methyl-3-pyridinyl)cyclohexa-1,5-dien-1-yl]ethyl]pyrrolidine-2-carboxamide
CID 170955225
(2S,4R)-1-[(2S)-2-[4-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-2-iodo-5-methylindazol-4-yl)-2-[(2S)-2-methoxypropoxy]quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1R)-2-hydroxy-1-[4-(4-methylpyrimidin-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 170955631
(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-(2-methoxyethoxy)quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]-N-[(1R)-2-hydroxy-1-[4-(3-methyl-4-pyridinyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 170955718

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;4-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-1-methylquinolin-2-one;6-tert-butyl-1H-quinolin-2-one;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one?
The IUPAC name of 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;4-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-1-methylquinolin-2-one;6-tert-butyl-1H-quinolin-2-one;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one (CID 158766864) is 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;4-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-1-methylquinolin-2-one;6-tert-butyl-1H-quinolin-2-one;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;4-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-1-methylquinolin-2-one;6-tert-butyl-1H-quinolin-2-one;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;4-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-1-methylquinolin-2-one;6-tert-butyl-1H-quinolin-2-one;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one is CC(C)(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)OCC(=O)N2.CC(C)c1ccc2c(c1)CCC(=O)N2C.Cn1c(=O)ccc2cc(C(C)(C)C)ccc21.Cn1ccc2c(C(C)(C)C)cccc21.Cn1ccc2cc(C(C)(C)C)ccc21.Cn1ccc2ccc(C(C)(C)C)cc21.Cn1cnc2c(C(C)(C)C)cccc21.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1cnc2ccc(C(C)(C)C)cc21.Cn1ncc2c(C(C)(C)C)cccc21.Cn1ncc2cc(C(C)(C)C)ccc21.Cn1ncc2ccc(C(C)(C)C)cc21.
What is the InChIKey of 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;4-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-1-methylquinolin-2-one;6-tert-butyl-1H-quinolin-2-one;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one?
The InChIKey is IPJGKPZUDPNIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO.C13H17NO.C13H15NO.C13H17NO.3C13H17N.6C12H16N2.C12H15NO2/c1-14(2,3)11-6-7-12-10(9-11)5-8-13(16)15(12)4;2*1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-9(2)10-4-6-12-11(8-10)5-7-13(15)14(12)3;1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-13(2,3)11-6-5-10-7-8-14(4)12(10)9-11;1-13(2,3)11-6-5-7-12-10(11)8-9-14(12)4;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-12(2,3)9-5-6-10-11(7-9)14(4)8-13-10;1-12(2,3)10-6-5-7-11-9(10)8-13-14(11)4;1-12(2,3)9-6-5-7-10-11(9)13-8-14(10)4;1-12(2,3)8-4-5-9-10(6-8)15-7-11(14)13-9/h5-9H,1-4H3;5-6,8H,4,7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4,6,8-9H,5,7H2,1-3H3;3*5-9H,1-4H3;6*5-8H,1-4H3;4-6H,7H2,1-3H3,(H,13,14).
What are the key properties of 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;4-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-1-methylquinolin-2-one;6-tert-butyl-1H-quinolin-2-one;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one?
7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;4-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-1-methylquinolin-2-one;6-tert-butyl-1H-quinolin-2-one;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one has a molecular weight of 2719.89 g/mol, XLogP of 41.22, 1 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;4-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-1-methylquinolin-2-one;6-tert-butyl-1H-quinolin-2-one;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 158766864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).