N-[(2-methoxyphenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide

C21H22N2O3 — CID 110331087

IUPACN-[(2-methoxyphenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCOc1ccccc1CNC(=O)CCc1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C21H22N2O3/c1-14-6-5-8-15-12-16(21(25)23-20(14)15)10-11-19(24)22-13-17-7-3-4-9-18(17)26-2/h3-9,12H,10-11,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyAWLSOCQSBZHBKX-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.09
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide

N-[(2-methoxyphenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 110331087) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID110331087
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCOc1ccccc1CNC(=O)CCc1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C21H22N2O3/c1-14-6-5-8-15-12-16(21(25)23-20(14)15)10-11-19(24)22-13-17-7-3-4-9-18(17)26-2/h3-9,12H,10-11,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyAWLSOCQSBZHBKX-UHFFFAOYSA-N
XLogP3.09
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331083
N-(3,4-dimethoxyphenyl)-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331152
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide
CID 110324363
N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 110602477
3-(4-methoxyphenyl)-N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110325780
N-tert-butyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331121
3-(1,3-dioxoisoindol-2-yl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110324410
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-(2-methoxyphenyl)propanamide
CID 110416240
N-cyclopropyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331054
3-(2-methoxyphenyl)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]propanamide
CID 110666107
3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]urea
CID 3194385
N-cyclohexyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331062

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide (CID 110331087) is N-[(2-methoxyphenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide is COc1ccccc1CNC(=O)CCc1cc2cccc(C)c2[nH]c1=O.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is AWLSOCQSBZHBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14-6-5-8-15-12-16(21(25)23-20(14)15)10-11-19(24)22-13-17-7-3-4-9-18(17)26-2/h3-9,12H,10-11,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
N-[(2-methoxyphenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 350.42 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 110331087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).