1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]indole-4-carboxamide

C21H21N3O2 — CID 56823797

IUPAC1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]indole-4-carboxamide
SMILESCC(NC(=O)c1cccc2c1ccn2C)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C21H21N3O2/c1-13(14-6-8-18-15(12-14)7-9-20(25)23-18)22-21(26)17-4-3-5-19-16(17)10-11-24(19)2/h3-6,8,10-13H,7,9H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyDVHSGDHBYZLZAX-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.55
Rot. Bonds3

About 1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]indole-4-carboxamide

1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]indole-4-carboxamide (PubChem CID 56823797) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]indole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]indole-4-carboxamide
PubChem CID56823797
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]indole-4-carboxamide
SMILESCC(NC(=O)c1cccc2c1ccn2C)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C21H21N3O2/c1-13(14-6-8-18-15(12-14)7-9-20(25)23-18)22-21(26)17-4-3-5-19-16(17)10-11-24(19)2/h3-6,8,10-13H,7,9H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyDVHSGDHBYZLZAX-UHFFFAOYSA-N
XLogP3.55
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indole-4-carboxamide
CID 154850554
1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51120389
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridine-3-carboxamide
CID 166179612
2-(3-bromo-2-methylindol-1-yl)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
CID 97002140
1,3-dimethyl-2,4-dioxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide
CID 95157748
1-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopropane-1-carboxamide
CID 119729776
2-(2,6-difluorophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
CID 122150911
1-(2-fluoro-6-methylphenyl)-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 124575118
6-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-propoxypyridine-3-carboxamide
CID 124743707
(3R)-3-cyclopropyl-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butanamide
CID 97314500
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18114889
2-(2-methoxyethylamino)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide;hydrochloride
CID 119729824

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]indole-4-carboxamide?
The IUPAC name of 1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]indole-4-carboxamide (CID 56823797) is 1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]indole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]indole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]indole-4-carboxamide is CC(NC(=O)c1cccc2c1ccn2C)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]indole-4-carboxamide?
The InChIKey is DVHSGDHBYZLZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-13(14-6-8-18-15(12-14)7-9-20(25)23-18)22-21(26)17-4-3-5-19-16(17)10-11-24(19)2/h3-6,8,10-13H,7,9H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]indole-4-carboxamide?
1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]indole-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]indole-4-carboxamide is sourced from PubChem (CID 56823797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).