N-[2-(4-methoxyindol-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide

C21H19N3O3 — CID 56698870

IUPACN-[2-(4-methoxyindol-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCOc1cccc2c1ccn2CCNC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C21H19N3O3/c1-27-19-8-4-7-18-15(19)9-11-24(18)12-10-22-21(26)16-13-20(25)23-17-6-3-2-5-14(16)17/h2-9,11,13H,10,12H2,1H3,(H,22,26)(H,23,25)
InChIKeyFZLBRWOQZIKTQV-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.92
Rot. Bonds5

About N-[2-(4-methoxyindol-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide

N-[2-(4-methoxyindol-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 56698870) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[2-(4-methoxyindol-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyindol-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID56698870
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-[2-(4-methoxyindol-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCOc1cccc2c1ccn2CCNC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C21H19N3O3/c1-27-19-8-4-7-18-15(19)9-11-24(18)12-10-22-21(26)16-13-20(25)23-17-6-3-2-5-14(16)17/h2-9,11,13H,10,12H2,1H3,(H,22,26)(H,23,25)
InChIKeyFZLBRWOQZIKTQV-UHFFFAOYSA-N
XLogP2.92
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 166319507
5,6-dimethoxy-N-[2-(4-methoxyindol-1-yl)ethyl]-1H-indole-2-carboxamide
CID 71825514
N-[2-(4-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide
CID 91638636
methyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate
CID 29131557
N-(2-methoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 917217
N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 110694434
N-(2-indol-1-ylethyl)-2,6-dimethoxybenzamide
CID 110732644
N-[2-(4-methoxyindol-1-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 136867017
N-[2-(4-methoxyindol-1-yl)ethyl]-1-oxo-4H-isoquinoline-4-carboxamide
CID 78149801
N-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 3617215
methyl 3-(4-methoxyindol-1-yl)propanoate
CID 83162468
N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 51949127

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyindol-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyindol-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide (CID 56698870) is N-[2-(4-methoxyindol-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyindol-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyindol-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide is COc1cccc2c1ccn2CCNC(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-[2-(4-methoxyindol-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is FZLBRWOQZIKTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-27-19-8-4-7-18-15(19)9-11-24(18)12-10-22-21(26)16-13-20(25)23-17-6-3-2-5-14(16)17/h2-9,11,13H,10,12H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-[2-(4-methoxyindol-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[2-(4-methoxyindol-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyindol-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 56698870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).