N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylbenzamide

C25H22N2O3 — CID 4901307

IUPACN-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylbenzamide
SMILESCOc1cccc(-c2c(NC(=O)c3ccccc3C)n(C)c3ccccc3c2=O)c1
InChIInChI=1S/C25H22N2O3/c1-16-9-4-5-12-19(16)25(29)26-24-22(17-10-8-11-18(15-17)30-3)23(28)20-13-6-7-14-21(20)27(24)2/h4-15H,1-3H3,(H,26,29)
InChIKeyYSMIFUZJYLJBIE-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.77
Rot. Bonds4

About N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylbenzamide

N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylbenzamide (PubChem CID 4901307) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylbenzamide
PubChem CID4901307
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC NameN-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylbenzamide
SMILESCOc1cccc(-c2c(NC(=O)c3ccccc3C)n(C)c3ccccc3c2=O)c1
InChIInChI=1S/C25H22N2O3/c1-16-9-4-5-12-19(16)25(29)26-24-22(17-10-8-11-18(15-17)30-3)23(28)20-13-6-7-14-21(20)27(24)2/h4-15H,1-3H3,(H,26,29)
InChIKeyYSMIFUZJYLJBIE-UHFFFAOYSA-N
XLogP4.77
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide
CID 16957143
N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-nitrobenzamide
CID 4903800
N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]pentanamide
CID 4870056
N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-oxoquinolin-2-yl]-3-methoxybenzamide
CID 16957144
2-fluoro-N-[1-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)quinolin-2-yl]benzamide
CID 4903955
2-chloro-N-[3-(3,4-dichlorophenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide
CID 4911005
2-chloro-N-[1-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinolin-2-yl]benzamide
CID 4910543
N-[1-methyl-3-(3-methylphenyl)-4-oxoquinolin-2-yl]-3-nitrobenzamide
CID 4907437
4-tert-butyl-N-[3-(3-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide
CID 4903336
N-[1-methyl-3-(3-methylphenyl)-4-oxoquinolin-2-yl]cyclohexanecarboxamide
CID 4908379
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 51154926
N-(3,5-dimethoxyphenyl)-2-methylbenzamide
CID 9096893

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylbenzamide?
The IUPAC name of N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylbenzamide (CID 4901307) is N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylbenzamide is COc1cccc(-c2c(NC(=O)c3ccccc3C)n(C)c3ccccc3c2=O)c1.
What is the InChIKey of N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylbenzamide?
The InChIKey is YSMIFUZJYLJBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-16-9-4-5-12-19(16)25(29)26-24-22(17-10-8-11-18(15-17)30-3)23(28)20-13-6-7-14-21(20)27(24)2/h4-15H,1-3H3,(H,26,29).
What are the key properties of N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylbenzamide?
N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylbenzamide has a molecular weight of 398.46 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylbenzamide is sourced from PubChem (CID 4901307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).