3-(3-methoxyphenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide

C21H22N2O3 — CID 110414837

IUPAC3-(3-methoxyphenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide
SMILESCOc1cccc(CCC(=O)NCCc2cc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C21H22N2O3/c1-26-18-7-4-5-15(13-18)9-10-20(24)22-12-11-17-14-16-6-2-3-8-19(16)23-21(17)25/h2-8,13-14H,9-12H2,1H3,(H,22,24)(H,23,25)
InChIKeyNLKKXERNISJHIX-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.83
Rot. Bonds7

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

3-(3-methoxyphenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide (PubChem CID 110414837) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide
PubChem CID110414837
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name3-(3-methoxyphenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide
SMILESCOc1cccc(CCC(=O)NCCc2cc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C21H22N2O3/c1-26-18-7-4-5-15(13-18)9-10-20(24)22-12-11-17-14-16-6-2-3-8-19(16)23-21(17)25/h2-8,13-14H,9-12H2,1H3,(H,22,24)(H,23,25)
InChIKeyNLKKXERNISJHIX-UHFFFAOYSA-N
XLogP2.83
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
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3-(4-methoxyphenyl)-N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110325780
3,5-dimethoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzamide
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CID 4258688
3-(2-oxo-1H-quinolin-3-yl)-N-(3-phenylpropyl)propanamide
CID 110330993
N-(3-methylbutyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
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2-chloro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 7136774
4-(4-fluorophenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]butanamide
CID 110415150
N-[2-(4-methoxyphenyl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331176
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
4-(4-chlorophenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]butanamide
CID 110413628

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide (CID 110414837) is 3-(3-methoxyphenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide is COc1cccc(CCC(=O)NCCc2cc3ccccc3[nH]c2=O)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide?
The InChIKey is NLKKXERNISJHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-26-18-7-4-5-15(13-18)9-10-20(24)22-12-11-17-14-16-6-2-3-8-19(16)23-21(17)25/h2-8,13-14H,9-12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 3-(3-methoxyphenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide?
3-(3-methoxyphenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide has a molecular weight of 350.42 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide is sourced from PubChem (CID 110414837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).