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

C21H22N2O2 — CID 110390084

IUPAC3-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)CCc2ccc3[nH]c(=O)c(C)cc3c2)c1
InChIInChI=1S/C21H22N2O2/c1-14-4-3-5-17(10-14)13-22-20(24)9-7-16-6-8-19-18(12-16)11-15(2)21(25)23-19/h3-6,8,10-12H,7,9,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyKAXKPTRCZKMVQN-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.39
Rot. Bonds5

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

3-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 110390084) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(3-methylphenyl)methyl]propanamide
PubChem CID110390084
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name3-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)CCc2ccc3[nH]c(=O)c(C)cc3c2)c1
InChIInChI=1S/C21H22N2O2/c1-14-4-3-5-17(10-14)13-22-20(24)9-7-16-6-8-19-18(12-16)11-15(2)21(25)23-19/h3-6,8,10-12H,7,9,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyKAXKPTRCZKMVQN-UHFFFAOYSA-N
XLogP3.39
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
CID 110785273
3-(2-methoxyphenyl)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]propanamide
CID 110666107
N-(2,3-dimethylphenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390145
3-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-(2-methylphenyl)propanamide
CID 110390135
N-[(3-methylphenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110390393
3-(3-fluorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110414954
N-(3-fluorophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390165
N-cyclopropyl-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390059
N-(4-fluorophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390148
2,6-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666083
N-(3-cyanophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390170
N-cycloheptyl-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390127

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(3-methylphenyl)methyl]propanamide (CID 110390084) is 3-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(3-methylphenyl)methyl]propanamide is Cc1cccc(CNC(=O)CCc2ccc3[nH]c(=O)c(C)cc3c2)c1.
What is the InChIKey of 3-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is KAXKPTRCZKMVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-14-4-3-5-17(10-14)13-22-20(24)9-7-16-6-8-19-18(12-16)11-15(2)21(25)23-19/h3-6,8,10-12H,7,9,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(3-methylphenyl)methyl]propanamide?
3-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 334.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 110390084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).