N-(2,5-dimethylphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide

C21H22N2O2 — CID 110331255

IUPACN-(2,5-dimethylphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCc2cc3cc(C)ccc3[nH]c2=O)c1
InChIInChI=1S/C21H22N2O2/c1-13-5-8-18-17(10-13)12-16(21(25)23-18)7-9-20(24)22-19-11-14(2)4-6-15(19)3/h4-6,8,10-12H,7,9H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyPBVMANXXFURIJS-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.02
Rot. Bonds4

About N-(2,5-dimethylphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide

N-(2,5-dimethylphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 110331255) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID110331255
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-(2,5-dimethylphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCc2cc3cc(C)ccc3[nH]c2=O)c1
InChIInChI=1S/C21H22N2O2/c1-13-5-8-18-17(10-13)12-16(21(25)23-18)7-9-20(24)22-19-11-14(2)4-6-15(19)3/h4-6,8,10-12H,7,9H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyPBVMANXXFURIJS-UHFFFAOYSA-N
XLogP4.02
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(4-methylphenyl)propanamide
CID 110331250
3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(3-methylphenyl)propanamide
CID 110331249
N-(3-fluorophenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331277
N-(4-ethoxyphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331268
N-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331279
N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 71684039
N-(3-cyanophenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331282
N-(5-chloro-2-methylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110420828
3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 53174716
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110423215
N-(3,5-dimethylphenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331323
3-(furan-2-yl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110413804

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide (CID 110331255) is N-(2,5-dimethylphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide is Cc1ccc(C)c(NC(=O)CCc2cc3cc(C)ccc3[nH]c2=O)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is PBVMANXXFURIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-13-5-8-18-17(10-13)12-16(21(25)23-18)7-9-20(24)22-19-11-14(2)4-6-15(19)3/h4-6,8,10-12H,7,9H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-(2,5-dimethylphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
N-(2,5-dimethylphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 334.42 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 110331255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).