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

C24H22N2O2 — CID 4900233

IUPACN-(1-methyl-3-naphthalen-1-yl-4-oxoquinolin-2-yl)butanamide
SMILESCCCC(=O)Nc1c(-c2cccc3ccccc23)c(=O)c2ccccc2n1C
InChIInChI=1S/C24H22N2O2/c1-3-9-21(27)25-24-22(18-14-8-11-16-10-4-5-12-17(16)18)23(28)19-13-6-7-15-20(19)26(24)2/h4-8,10-15H,3,9H2,1-2H3,(H,25,27)
InChIKeyBGSBSNLJEDIPEI-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.10
Rot. Bonds4

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

N-(1-methyl-3-naphthalen-1-yl-4-oxoquinolin-2-yl)butanamide (PubChem CID 4900233) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(1-methyl-3-naphthalen-1-yl-4-oxoquinolin-2-yl)butanamide.

Molecular Properties

Compound NameN-(1-methyl-3-naphthalen-1-yl-4-oxoquinolin-2-yl)butanamide
PubChem CID4900233
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC NameN-(1-methyl-3-naphthalen-1-yl-4-oxoquinolin-2-yl)butanamide
SMILESCCCC(=O)Nc1c(-c2cccc3ccccc23)c(=O)c2ccccc2n1C
InChIInChI=1S/C24H22N2O2/c1-3-9-21(27)25-24-22(18-14-8-11-16-10-4-5-12-17(16)18)23(28)19-13-6-7-15-20(19)26(24)2/h4-8,10-15H,3,9H2,1-2H3,(H,25,27)
InChIKeyBGSBSNLJEDIPEI-UHFFFAOYSA-N
XLogP5.10
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.10
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)-2-phenylacetamide
CID 7647127
N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]pentanamide
CID 4870056
N-[1-ethyl-3-(4-methoxyphenyl)-4-oxoquinolin-2-yl]hexanamide
CID 7678824
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
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-naphthalen-1-yldodecanamide
CID 588517
2-chloro-N-[1-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinolin-2-yl]benzamide
CID 4910543
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-3-naphthalen-1-yl-4-oxoquinolin-2-yl)butanamide?
The IUPAC name of N-(1-methyl-3-naphthalen-1-yl-4-oxoquinolin-2-yl)butanamide (CID 4900233) is N-(1-methyl-3-naphthalen-1-yl-4-oxoquinolin-2-yl)butanamide.
What is the SMILES notation for N-(1-methyl-3-naphthalen-1-yl-4-oxoquinolin-2-yl)butanamide?
The canonical SMILES for N-(1-methyl-3-naphthalen-1-yl-4-oxoquinolin-2-yl)butanamide is CCCC(=O)Nc1c(-c2cccc3ccccc23)c(=O)c2ccccc2n1C.
What is the InChIKey of N-(1-methyl-3-naphthalen-1-yl-4-oxoquinolin-2-yl)butanamide?
The InChIKey is BGSBSNLJEDIPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-3-9-21(27)25-24-22(18-14-8-11-16-10-4-5-12-17(16)18)23(28)19-13-6-7-15-20(19)26(24)2/h4-8,10-15H,3,9H2,1-2H3,(H,25,27).
What are the key properties of N-(1-methyl-3-naphthalen-1-yl-4-oxoquinolin-2-yl)butanamide?
N-(1-methyl-3-naphthalen-1-yl-4-oxoquinolin-2-yl)butanamide has a molecular weight of 370.45 g/mol, XLogP of 5.10, 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)butanamide is sourced from PubChem (CID 4900233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).