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

C21H22N2O2 — CID 110390145

IUPACN-(2,3-dimethylphenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
SMILESCc1cccc(NC(=O)CCc2ccc3[nH]c(=O)c(C)cc3c2)c1C
InChIInChI=1S/C21H22N2O2/c1-13-5-4-6-18(15(13)3)22-20(24)10-8-16-7-9-19-17(12-16)11-14(2)21(25)23-19/h4-7,9,11-12H,8,10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyATRSHNQZNKJXBP-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.02
Rot. Bonds4

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

N-(2,3-dimethylphenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide (PubChem CID 110390145) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
PubChem CID110390145
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-(2,3-dimethylphenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
SMILESCc1cccc(NC(=O)CCc2ccc3[nH]c(=O)c(C)cc3c2)c1C
InChIInChI=1S/C21H22N2O2/c1-13-5-4-6-18(15(13)3)22-20(24)10-8-16-7-9-19-17(12-16)11-14(2)21(25)23-19/h4-7,9,11-12H,8,10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyATRSHNQZNKJXBP-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-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-(2-methylphenyl)propanamide
CID 110390135
N-(3-fluorophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390165
N-(4-fluorophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390148
N-(3-cyanophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390170
N-(2,3-dimethylphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 46393076
3-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 110390084
N-cyclopropyl-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390059
N-(2-bromophenyl)-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
CID 110300601
3-(4-aminophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 28713065
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(2,3-dimethylphenyl)-3-(4-propan-2-ylphenyl)propanamide
CID 19221393
N-(5-methyl-1,2-oxazol-3-yl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110390056

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide (CID 110390145) is N-(2,3-dimethylphenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide is Cc1cccc(NC(=O)CCc2ccc3[nH]c(=O)c(C)cc3c2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide?
The InChIKey is ATRSHNQZNKJXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-13-5-4-6-18(15(13)3)22-20(24)10-8-16-7-9-19-17(12-16)11-14(2)21(25)23-19/h4-7,9,11-12H,8,10H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-(2,3-dimethylphenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide?
N-(2,3-dimethylphenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-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-(2,3-dimethylphenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide is sourced from PubChem (CID 110390145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).