N-[2-(3-chlorophenyl)ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide

C21H21ClN2O3 — CID 110331318

IUPACN-[2-(3-chlorophenyl)ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCOc1ccc2[nH]c(=O)c(CCC(=O)NCCc3cccc(Cl)c3)cc2c1
InChIInChI=1S/C21H21ClN2O3/c1-27-18-6-7-19-16(13-18)12-15(21(26)24-19)5-8-20(25)23-10-9-14-3-2-4-17(22)11-14/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,23,25)(H,24,26)
InChIKeyQEHKIWCZMRBSQC-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.48
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide

N-[2-(3-chlorophenyl)ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 110331318) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID110331318
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCOc1ccc2[nH]c(=O)c(CCC(=O)NCCc3cccc(Cl)c3)cc2c1
InChIInChI=1S/C21H21ClN2O3/c1-27-18-6-7-19-16(13-18)12-15(21(26)24-19)5-8-20(25)23-10-9-14-3-2-4-17(22)11-14/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,23,25)(H,24,26)
InChIKeyQEHKIWCZMRBSQC-UHFFFAOYSA-N
XLogP3.48
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxyphenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110414837
3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-yloxyethyl)propanamide
CID 110418808
N-(3-chloro-2-methylphenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331330
N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174760
N-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331295
N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174801
N-[2-(4-methoxyphenyl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331176
N-(2,6-difluorophenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110428860
3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
CID 110298877
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110326009
3-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylbenzamide
CID 1242780
N-[2-(3-chlorophenyl)ethyl]-3-(2,4-dimethoxyanilino)propanamide
CID 109033246

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide (CID 110331318) is N-[2-(3-chlorophenyl)ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide is COc1ccc2[nH]c(=O)c(CCC(=O)NCCc3cccc(Cl)c3)cc2c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is QEHKIWCZMRBSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-27-18-6-7-19-16(13-18)12-15(21(26)24-19)5-8-20(25)23-10-9-14-3-2-4-17(22)11-14/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide?
N-[2-(3-chlorophenyl)ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 384.86 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 110331318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).