3-(2-methoxyphenyl)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]propanamide

C21H22N2O3 — CID 110666107

IUPAC3-(2-methoxyphenyl)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]propanamide
SMILESCOc1ccccc1CCC(=O)NCc1ccc2[nH]c(=O)c(C)cc2c1
InChIInChI=1S/C21H22N2O3/c1-14-11-17-12-15(7-9-18(17)23-21(14)25)13-22-20(24)10-8-16-5-3-4-6-19(16)26-2/h3-7,9,11-12H,8,10,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyKSEOKIJCUJOZMM-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.09
Rot. Bonds6

About 3-(2-methoxyphenyl)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]propanamide

3-(2-methoxyphenyl)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]propanamide (PubChem CID 110666107) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]propanamide
PubChem CID110666107
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name3-(2-methoxyphenyl)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]propanamide
SMILESCOc1ccccc1CCC(=O)NCc1ccc2[nH]c(=O)c(C)cc2c1
InChIInChI=1S/C21H22N2O3/c1-14-11-17-12-15(7-9-18(17)23-21(14)25)13-22-20(24)10-8-16-5-3-4-6-19(16)26-2/h3-7,9,11-12H,8,10,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyKSEOKIJCUJOZMM-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-[4-(2-methoxyphenyl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
CID 110616089
2,6-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666083
3-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 110390084
N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174760
N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331627
3,4-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666084
N-[(2-methoxyphenyl)methyl]-2-(2-oxo-3-propan-2-yl-1H-quinolin-6-yl)acetamide
CID 110675548
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 110331634
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide
CID 110755878
N-[(2-methoxyphenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331087
2-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110616680
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-(2-methoxyphenyl)propanamide
CID 110416240

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]propanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]propanamide (CID 110666107) is 3-(2-methoxyphenyl)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]propanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]propanamide is COc1ccccc1CCC(=O)NCc1ccc2[nH]c(=O)c(C)cc2c1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]propanamide?
The InChIKey is KSEOKIJCUJOZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14-11-17-12-15(7-9-18(17)23-21(14)25)13-22-20(24)10-8-16-5-3-4-6-19(16)26-2/h3-7,9,11-12H,8,10,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3-(2-methoxyphenyl)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]propanamide?
3-(2-methoxyphenyl)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]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 3-(2-methoxyphenyl)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]propanamide is sourced from PubChem (CID 110666107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).