N,6-di(propan-2-yl)-3H-indole-2-carboxamide;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one;1-methyl-5-propan-2-ylindole;2-methyl-6-propan-2-ylquinoline;1-methyl-7-propan-2-ylquinolin-2-one;8-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indene;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline

C148H177N13O5 — CID 158958830

IUPACN,6-di(propan-2-yl)-3H-indole-2-carboxamide;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one;1-methyl-5-propan-2-ylindole;2-methyl-6-propan-2-ylquinoline;1-methyl-7-propan-2-ylquinolin-2-one;8-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indene;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline
SMILESCC(C)NC(=O)C1=Nc2cc(C(C)C)ccc2C1.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2c(c1)CCC(=O)N2C.CC(C)c1ccc2c(c1)NC(=O)CC2.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1ccc2ccc(=O)n(C)c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1cccc2c1C(=O)NCC2.CC(C)c1cccc2cccnc12.CC(C)c1cccc2ncccc12.Cc1ccc2cc(C(C)C)ccc2n1
InChIInChI=1S/C15H20N2O.C13H17NO.C13H15NO.C13H15N.2C12H15NO.C12H15N.3C12H13N.C12H14.C10H12N2/c1-9(2)11-5-6-12-8-14(17-13(12)7-11)15(18)16-10(3)4;1-9(2)10-4-6-12-11(8-10)5-7-13(15)14(12)3;1-9(2)11-5-4-10-6-7-13(15)14(3)12(10)8-11;1-9(2)11-6-7-13-12(8-11)5-4-10(3)14-13;1-8(2)10-4-3-9-5-6-12(14)13-11(9)7-10;1-8(2)10-5-3-4-9-6-7-13-12(14)11(9)10;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-7(2)8-3-4-9-6-11-12-10(9)5-8/h5-7,9-10H,8H2,1-4H3,(H,16,18);4,6,8-9H,5,7H2,1-3H3;4-9H,1-3H3;4-9H,1-3H3;3-4,7-8H,5-6H2,1-2H3,(H,13,14);3-5,8H,6-7H2,1-2H3,(H,13,14);4-9H,1-3H3;3*3-9H,1-2H3;3,5-9H,4H2,1-2H3;3-7H,1-2H3,(H,11,12)
InChIKeyJMIXMKUZCWAYED-UHFFFAOYSA-N
MW2218.13 g/mol
LogP36.24
Rot. Bonds14

About N,6-di(propan-2-yl)-3H-indole-2-carboxamide;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one;1-methyl-5-propan-2-ylindole;2-methyl-6-propan-2-ylquinoline;1-methyl-7-propan-2-ylquinolin-2-one;8-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indene;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline

N,6-di(propan-2-yl)-3H-indole-2-carboxamide;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one;1-methyl-5-propan-2-ylindole;2-methyl-6-propan-2-ylquinoline;1-methyl-7-propan-2-ylquinolin-2-one;8-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indene;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline (PubChem CID 158958830) has the molecular formula C148H177N13O5 and a molecular weight of 2218.13 g/mol. Its IUPAC name is N,6-di(propan-2-yl)-3H-indole-2-carboxamide;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one;1-methyl-5-propan-2-ylindole;2-methyl-6-propan-2-ylquinoline;1-methyl-7-propan-2-ylquinolin-2-one;8-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indene;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline.

Molecular Properties

Compound NameN,6-di(propan-2-yl)-3H-indole-2-carboxamide;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one;1-methyl-5-propan-2-ylindole;2-methyl-6-propan-2-ylquinoline;1-methyl-7-propan-2-ylquinolin-2-one;8-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indene;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline
PubChem CID158958830
Molecular FormulaC148H177N13O5
Molecular Weight2218.13 g/mol
Exact Mass2216.40
IUPAC NameN,6-di(propan-2-yl)-3H-indole-2-carboxamide;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one;1-methyl-5-propan-2-ylindole;2-methyl-6-propan-2-ylquinoline;1-methyl-7-propan-2-ylquinolin-2-one;8-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indene;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline
SMILESCC(C)NC(=O)C1=Nc2cc(C(C)C)ccc2C1.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2c(c1)CCC(=O)N2C.CC(C)c1ccc2c(c1)NC(=O)CC2.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1ccc2ccc(=O)n(C)c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1cccc2c1C(=O)NCC2.CC(C)c1cccc2cccnc12.CC(C)c1cccc2ncccc12.Cc1ccc2cc(C(C)C)ccc2n1
InChIInChI=1S/C15H20N2O.C13H17NO.C13H15NO.C13H15N.2C12H15NO.C12H15N.3C12H13N.C12H14.C10H12N2/c1-9(2)11-5-6-12-8-14(17-13(12)7-11)15(18)16-10(3)4;1-9(2)10-4-6-12-11(8-10)5-7-13(15)14(12)3;1-9(2)11-5-4-10-6-7-13(15)14(3)12(10)8-11;1-9(2)11-6-7-13-12(8-11)5-4-10(3)14-13;1-8(2)10-4-3-9-5-6-12(14)13-11(9)7-10;1-8(2)10-5-3-4-9-6-7-13-12(14)11(9)10;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-7(2)8-3-4-9-6-11-12-10(9)5-8/h5-7,9-10H,8H2,1-4H3,(H,16,18);4,6,8-9H,5,7H2,1-3H3;4-9H,1-3H3;4-9H,1-3H3;3-4,7-8H,5-6H2,1-2H3,(H,13,14);3-5,8H,6-7H2,1-2H3,(H,13,14);4-9H,1-3H3;3*3-9H,1-2H3;3,5-9H,4H2,1-2H3;3-7H,1-2H3,(H,11,12)
InChIKeyJMIXMKUZCWAYED-UHFFFAOYSA-N
XLogP36.24
TPSA227.14 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002218.13
LogP ≤ 536.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze N,6-di(propan-2-yl)-3H-indole-2-carboxamide;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one;1-methyl-5-propan-2-ylindole;2-methyl-6-propan-2-ylquinoline;1-methyl-7-propan-2-ylquinolin-2-one;8-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indene;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline with MolForge

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Launch Full Analysis

Related Compounds

US10300056, Example 10
CID 129072538
N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-[[(2S)-1-oxo-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide
CID 129072542
1-[4-[4-[4-[2-(1H-indazol-6-yl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798386
1-[4-[4-[4-[2-(1H-indazol-5-yl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798426
N-(1-methylpiperidin-4-yl)-4-[4-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]benzamide
CID 56666496
1-(2-((1H-pyrazol-4-yl)methylamino)ethyl)-8,9-dihydro-3H-pyrrolo[3,2-f]isoquinolin-6(7H)-one
CID 45271764
19-Methyl-3-propan-2-yl-7-(pyridin-4-ylamino)-3,13,19,20-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17,20-octaen-14-one
CID 46836852
4-[2-methyl-4-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 56673418
4-[2-methyl-4-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1-yl]phenyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 56676727
1-(2-((1-methyl-1H-pyrazol-4-yl)methylamino)ethyl)-8,9-dihydro-3H-pyrrolo[3,2-f]isoquinolin-6(7H)-one
CID 45272633
6-[2-[9-[6-[(6S,8R)-7-(2,2-difluoroethyl)-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-3-pyridinyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-2-(2,6-dioxopiperidin-3-yl)-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
CID 164923489
2-(2,6-dioxopiperidin-3-yl)-6-[2-[9-[6-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-3-pyridinyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
CID 164923669

Frequently Asked Questions

What is the IUPAC name of N,6-di(propan-2-yl)-3H-indole-2-carboxamide;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one;1-methyl-5-propan-2-ylindole;2-methyl-6-propan-2-ylquinoline;1-methyl-7-propan-2-ylquinolin-2-one;8-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indene;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline?
The IUPAC name of N,6-di(propan-2-yl)-3H-indole-2-carboxamide;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one;1-methyl-5-propan-2-ylindole;2-methyl-6-propan-2-ylquinoline;1-methyl-7-propan-2-ylquinolin-2-one;8-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indene;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline (CID 158958830) is N,6-di(propan-2-yl)-3H-indole-2-carboxamide;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one;1-methyl-5-propan-2-ylindole;2-methyl-6-propan-2-ylquinoline;1-methyl-7-propan-2-ylquinolin-2-one;8-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indene;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline.
What is the SMILES notation for N,6-di(propan-2-yl)-3H-indole-2-carboxamide;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one;1-methyl-5-propan-2-ylindole;2-methyl-6-propan-2-ylquinoline;1-methyl-7-propan-2-ylquinolin-2-one;8-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indene;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline?
The canonical SMILES for N,6-di(propan-2-yl)-3H-indole-2-carboxamide;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one;1-methyl-5-propan-2-ylindole;2-methyl-6-propan-2-ylquinoline;1-methyl-7-propan-2-ylquinolin-2-one;8-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indene;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline is CC(C)NC(=O)C1=Nc2cc(C(C)C)ccc2C1.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2c(c1)CCC(=O)N2C.CC(C)c1ccc2c(c1)NC(=O)CC2.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1ccc2ccc(=O)n(C)c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1cccc2c1C(=O)NCC2.CC(C)c1cccc2cccnc12.CC(C)c1cccc2ncccc12.Cc1ccc2cc(C(C)C)ccc2n1.
What is the InChIKey of N,6-di(propan-2-yl)-3H-indole-2-carboxamide;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one;1-methyl-5-propan-2-ylindole;2-methyl-6-propan-2-ylquinoline;1-methyl-7-propan-2-ylquinolin-2-one;8-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indene;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline?
The InChIKey is JMIXMKUZCWAYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O.C13H17NO.C13H15NO.C13H15N.2C12H15NO.C12H15N.3C12H13N.C12H14.C10H12N2/c1-9(2)11-5-6-12-8-14(17-13(12)7-11)15(18)16-10(3)4;1-9(2)10-4-6-12-11(8-10)5-7-13(15)14(12)3;1-9(2)11-5-4-10-6-7-13(15)14(3)12(10)8-11;1-9(2)11-6-7-13-12(8-11)5-4-10(3)14-13;1-8(2)10-4-3-9-5-6-12(14)13-11(9)7-10;1-8(2)10-5-3-4-9-6-7-13-12(14)11(9)10;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-7(2)8-3-4-9-6-11-12-10(9)5-8/h5-7,9-10H,8H2,1-4H3,(H,16,18);4,6,8-9H,5,7H2,1-3H3;4-9H,1-3H3;4-9H,1-3H3;3-4,7-8H,5-6H2,1-2H3,(H,13,14);3-5,8H,6-7H2,1-2H3,(H,13,14);4-9H,1-3H3;3*3-9H,1-2H3;3,5-9H,4H2,1-2H3;3-7H,1-2H3,(H,11,12).
What are the key properties of N,6-di(propan-2-yl)-3H-indole-2-carboxamide;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one;1-methyl-5-propan-2-ylindole;2-methyl-6-propan-2-ylquinoline;1-methyl-7-propan-2-ylquinolin-2-one;8-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indene;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline?
N,6-di(propan-2-yl)-3H-indole-2-carboxamide;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one;1-methyl-5-propan-2-ylindole;2-methyl-6-propan-2-ylquinoline;1-methyl-7-propan-2-ylquinolin-2-one;8-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indene;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline has a molecular weight of 2218.13 g/mol, XLogP of 36.24, 14 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-di(propan-2-yl)-3H-indole-2-carboxamide;1-methyl-6-propan-2-yl-3,4-dihydroquinolin-2-one;1-methyl-5-propan-2-ylindole;2-methyl-6-propan-2-ylquinoline;1-methyl-7-propan-2-ylquinolin-2-one;8-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indene;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline is sourced from PubChem (CID 158958830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).