benzene;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;6-propan-2-ylquinoline

C147H183N19O7S — CID 159711688

IUPACbenzene;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;6-propan-2-ylquinoline
SMILESCC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)c1ccc2[nH]c(=O)oc2c1.CC(C)c1ccc2[nH]c(=O)sc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2c(c1)CNC2=O.CC(C)c1ccc2ncccc2c1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cnccn1.CC(C)c1cncnc1.c1ccccc1
InChIInChI=1S/C13H17NO.C12H13N.3C11H13NO.C10H12N2.C10H11NO2.C10H11NOS.4C8H11N.3C7H10N2.C6H6/c1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-7(2)8-3-4-10-9(5-8)6-12-11(10)13;2*1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;1-7(2)8-3-4-10-9(5-8)6-11-12-10;2*1-6(2)7-3-4-8-9(5-7)13-10(12)11-8;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-2-4-6-5-3-1/h5-6,8H,4,7H2,1-3H3,(H,14,15);3-9H,1-2H3;3*3-5,7H,6H2,1-2H3,(H,12,13);3-7H,1-2H3,(H,11,12);2*3-6H,1-2H3,(H,11,12);4*3-7H,1-2H3;3*3-6H,1-2H3;1-6H
InChIKeyMYXNFVSCFBQDHG-UHFFFAOYSA-N
MW2360.27 g/mol
LogP35.84
Rot. Bonds14

About benzene;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;6-propan-2-ylquinoline

benzene;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;6-propan-2-ylquinoline (PubChem CID 159711688) has the molecular formula C147H183N19O7S and a molecular weight of 2360.27 g/mol. Its IUPAC name is benzene;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;6-propan-2-ylquinoline.

Molecular Properties

Compound Namebenzene;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;6-propan-2-ylquinoline
PubChem CID159711688
Molecular FormulaC147H183N19O7S
Molecular Weight2360.27 g/mol
Exact Mass2358.43
IUPAC Namebenzene;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;6-propan-2-ylquinoline
SMILESCC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)c1ccc2[nH]c(=O)oc2c1.CC(C)c1ccc2[nH]c(=O)sc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2c(c1)CNC2=O.CC(C)c1ccc2ncccc2c1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cnccn1.CC(C)c1cncnc1.c1ccccc1
InChIInChI=1S/C13H17NO.C12H13N.3C11H13NO.C10H12N2.C10H11NO2.C10H11NOS.4C8H11N.3C7H10N2.C6H6/c1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-7(2)8-3-4-10-9(5-8)6-12-11(10)13;2*1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;1-7(2)8-3-4-10-9(5-8)6-11-12-10;2*1-6(2)7-3-4-8-9(5-7)13-10(12)11-8;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-2-4-6-5-3-1/h5-6,8H,4,7H2,1-3H3,(H,14,15);3-9H,1-2H3;3*3-5,7H,6H2,1-2H3,(H,12,13);3-7H,1-2H3,(H,11,12);2*3-6H,1-2H3,(H,11,12);4*3-7H,1-2H3;3*3-6H,1-2H3;1-6H
InChIKeyMYXNFVSCFBQDHG-UHFFFAOYSA-N
XLogP35.84
TPSA365.73 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002360.27
LogP ≤ 535.84
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Analyze benzene;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;6-propan-2-ylquinoline 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

CID 160796703
CID 160796703
CID 161147666
CID 161147666
methane;1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one
CID 157376062
tert-butylbenzene;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;bis(5-tert-butyl-2,3-dihydro-1H-indene);5-tert-butyl-1H-indazole;3-tert-butylisoquinoline;7-tert-butylisoquinoline;5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;2-tert-butylnaphthalene;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;ethane
CID 157444548
7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-4-methyl-1,4-benzoxazin-3-one;bis(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;7-tert-butyl-2,2,4-trimethyl-1,4-benzoxazin-3-one;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one
CID 157530264
3H-1,3-benzoxazol-2-one;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;1,4-dihydropyridine;(2,2-dimethylpropane);imidazo[1,2-a]pyridine;1H-imidazole;isoquinoline;1H-pyrazole;1H-pyrazolo[5,4-c]pyridine;pyridine;1H-pyridin-2-one;bis(pyrido[2,3-b]pyrazine);pyrido[3,4-b]pyrazine;pyrimidine;pyrrolidin-2-one;3H-pyrrolo[3,2-b]pyridine;7H-pyrrolo[3,4-b]pyridine;2H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,2-c]pyridine;quinoline;1,2-thiazole;thiophene
CID 157796534
5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methylidene-3H-1-benzofuran;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;4-tert-butyl-1-methylpiperidine;2-tert-butylnaphthalene;1-(4-tert-butylpiperidin-1-yl)ethanone;7-tert-butylquinoline;2-tert-butylthiophene;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;3-(2,2-dimethylpropyl)pyridine
CID 157839987
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-7H-pyrrolo[2,3-d]pyrimidine;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 157890066
tert-butylbenzene;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;bis(5-tert-butyl-2,3-dihydro-1H-indene);5-tert-butyl-1H-indazole;3-tert-butylisoquinoline;7-tert-butylisoquinoline;5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;bis(2-tert-butylnaphthalene);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;ethane
CID 157902169
7-tert-butyl-4H-1,4-benzoxazin-3-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;4-ethyl-6-propan-2-yl-1,4-benzothiazin-3-one;1-ethyl-2-propan-2-ylindole-6-carbonitrile;2-methyl-1-(4-propan-2-ylphenyl)imidazo[4,5-c]pyridine;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-propan-2-yl-4aH-1,6-naphthyridin-5-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine
CID 158131660
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
tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-1,2-benzoxazole;6-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butylcinnoline;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;5-tert-butyl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butylisoquinoline;2-tert-butyl-1,6-naphthyridine;6-tert-butylphthalazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;7-tert-butylquinazoline;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-c]pyridine;methane
CID 158151360

Frequently Asked Questions

What is the IUPAC name of benzene;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;6-propan-2-ylquinoline?
The IUPAC name of benzene;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;6-propan-2-ylquinoline (CID 159711688) is benzene;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;6-propan-2-ylquinoline.
What is the SMILES notation for benzene;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;6-propan-2-ylquinoline?
The canonical SMILES for benzene;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;6-propan-2-ylquinoline is CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)c1ccc2[nH]c(=O)oc2c1.CC(C)c1ccc2[nH]c(=O)sc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2c(c1)CNC2=O.CC(C)c1ccc2ncccc2c1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cnccn1.CC(C)c1cncnc1.c1ccccc1.
What is the InChIKey of benzene;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;6-propan-2-ylquinoline?
The InChIKey is MYXNFVSCFBQDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C12H13N.3C11H13NO.C10H12N2.C10H11NO2.C10H11NOS.4C8H11N.3C7H10N2.C6H6/c1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-7(2)8-3-4-10-9(5-8)6-12-11(10)13;2*1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;1-7(2)8-3-4-10-9(5-8)6-11-12-10;2*1-6(2)7-3-4-8-9(5-7)13-10(12)11-8;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-2-4-6-5-3-1/h5-6,8H,4,7H2,1-3H3,(H,14,15);3-9H,1-2H3;3*3-5,7H,6H2,1-2H3,(H,12,13);3-7H,1-2H3,(H,11,12);2*3-6H,1-2H3,(H,11,12);4*3-7H,1-2H3;3*3-6H,1-2H3;1-6H.
What are the key properties of benzene;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;6-propan-2-ylquinoline?
benzene;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;6-propan-2-ylquinoline has a molecular weight of 2360.27 g/mol, XLogP of 35.84, 14 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-3H-1,3-benzothiazol-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-indazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;6-propan-2-ylquinoline is sourced from PubChem (CID 159711688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).