N-(1-methyl-3-naphthalen-1-yl-4-oxoquinolin-2-yl)-2-phenylacetamide

C28H22N2O2 — CID 7647127

IUPACN-(1-methyl-3-naphthalen-1-yl-4-oxoquinolin-2-yl)-2-phenylacetamide
SMILESCn1c(NC(=O)Cc2ccccc2)c(-c2cccc3ccccc23)c(=O)c2ccccc21
InChIInChI=1S/C28H22N2O2/c1-30-24-17-8-7-15-23(24)27(32)26(22-16-9-13-20-12-5-6-14-21(20)22)28(30)29-25(31)18-19-10-3-2-4-11-19/h2-17H,18H2,1H3,(H,29,31)
InChIKeyWTLWKPPWFRUDBM-UHFFFAOYSA-N
MW418.50 g/mol
LogP5.54
Rot. Bonds4

About N-(1-methyl-3-naphthalen-1-yl-4-oxoquinolin-2-yl)-2-phenylacetamide

N-(1-methyl-3-naphthalen-1-yl-4-oxoquinolin-2-yl)-2-phenylacetamide (PubChem CID 7647127) has the molecular formula C28H22N2O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-(1-methyl-3-naphthalen-1-yl-4-oxoquinolin-2-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(1-methyl-3-naphthalen-1-yl-4-oxoquinolin-2-yl)-2-phenylacetamide
PubChem CID7647127
Molecular FormulaC28H22N2O2
Molecular Weight418.50 g/mol
Exact Mass418.17
IUPAC NameN-(1-methyl-3-naphthalen-1-yl-4-oxoquinolin-2-yl)-2-phenylacetamide
SMILESCn1c(NC(=O)Cc2ccccc2)c(-c2cccc3ccccc23)c(=O)c2ccccc21
InChIInChI=1S/C28H22N2O2/c1-30-24-17-8-7-15-23(24)27(32)26(22-16-9-13-20-12-5-6-14-21(20)22)28(30)29-25(31)18-19-10-3-2-4-11-19/h2-17H,18H2,1H3,(H,29,31)
InChIKeyWTLWKPPWFRUDBM-UHFFFAOYSA-N
XLogP5.54
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methyl-3-naphthalen-1-yl-4-oxoquinolin-2-yl)butanamide
CID 4900233
N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]pentanamide
CID 4870056
5,11-dimethyl-6,12-dinaphthalen-1-ylindolo[3,2-b]carbazole
CID 163788031
2,3-dinaphthalen-1-ylcycloprop-2-en-1-one
CID 11034120
N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylacetamide
CID 19394819
2-(1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid
CID 82242835
2-chloro-N-[3-(3,4-dichlorophenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide
CID 4911005
N-[1-methyl-3-(3-methylphenyl)-4-oxoquinolin-2-yl]cyclohexanecarboxamide
CID 4908379
4-tert-butyl-N-[3-(3-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide
CID 4903336
N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylbenzamide
CID 4901307
N-[2-(1-methylindol-3-yl)ethyl]-2-phenylacetamide
CID 45069412
1-methyl-5-[(2-phenylacetyl)amino]pyrazole-4-carboxamide
CID 110472119

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-3-naphthalen-1-yl-4-oxoquinolin-2-yl)-2-phenylacetamide?
The IUPAC name of N-(1-methyl-3-naphthalen-1-yl-4-oxoquinolin-2-yl)-2-phenylacetamide (CID 7647127) is N-(1-methyl-3-naphthalen-1-yl-4-oxoquinolin-2-yl)-2-phenylacetamide.
What is the SMILES notation for N-(1-methyl-3-naphthalen-1-yl-4-oxoquinolin-2-yl)-2-phenylacetamide?
The canonical SMILES for N-(1-methyl-3-naphthalen-1-yl-4-oxoquinolin-2-yl)-2-phenylacetamide is Cn1c(NC(=O)Cc2ccccc2)c(-c2cccc3ccccc23)c(=O)c2ccccc21.
What is the InChIKey of N-(1-methyl-3-naphthalen-1-yl-4-oxoquinolin-2-yl)-2-phenylacetamide?
The InChIKey is WTLWKPPWFRUDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O2/c1-30-24-17-8-7-15-23(24)27(32)26(22-16-9-13-20-12-5-6-14-21(20)22)28(30)29-25(31)18-19-10-3-2-4-11-19/h2-17H,18H2,1H3,(H,29,31).
What are the key properties of N-(1-methyl-3-naphthalen-1-yl-4-oxoquinolin-2-yl)-2-phenylacetamide?
N-(1-methyl-3-naphthalen-1-yl-4-oxoquinolin-2-yl)-2-phenylacetamide has a molecular weight of 418.50 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-3-naphthalen-1-yl-4-oxoquinolin-2-yl)-2-phenylacetamide is sourced from PubChem (CID 7647127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).