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

C22H24N2O3 — CID 4870056

IUPACN-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]pentanamide
SMILESCCCCC(=O)Nc1c(-c2cccc(OC)c2)c(=O)c2ccccc2n1C
InChIInChI=1S/C22H24N2O3/c1-4-5-13-19(25)23-22-20(15-9-8-10-16(14-15)27-3)21(26)17-11-6-7-12-18(17)24(22)2/h6-12,14H,4-5,13H2,1-3H3,(H,23,25)
InChIKeyBKCLJABTEHTQBV-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.34
Rot. Bonds6

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

N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]pentanamide (PubChem CID 4870056) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]pentanamide.

Molecular Properties

Compound NameN-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]pentanamide
PubChem CID4870056
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]pentanamide
SMILESCCCCC(=O)Nc1c(-c2cccc(OC)c2)c(=O)c2ccccc2n1C
InChIInChI=1S/C22H24N2O3/c1-4-5-13-19(25)23-22-20(15-9-8-10-16(14-15)27-3)21(26)17-11-6-7-12-18(17)24(22)2/h6-12,14H,4-5,13H2,1-3H3,(H,23,25)
InChIKeyBKCLJABTEHTQBV-UHFFFAOYSA-N
XLogP4.34
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylbenzamide
CID 4901307
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-[1-ethyl-3-(4-methoxyphenyl)-4-oxoquinolin-2-yl]hexanamide
CID 7678824
N-(1-methyl-3-naphthalen-1-yl-4-oxoquinolin-2-yl)butanamide
CID 4900233
N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-oxoquinolin-2-yl]-3-methoxybenzamide
CID 16957144
N-[3-(3,4-dimethoxyphenyl)-8-methyl-4-oxochromen-2-yl]pentanamide
CID 7693344
2-(2-methoxy-9-oxoacridin-10-yl)-N-(3-methoxyphenyl)acetamide
CID 15992736
1-(3-methoxycarbazol-9-yl)pentan-1-one
CID 153297253
N-(1-methyl-3-naphthalen-1-yl-4-oxoquinolin-2-yl)-2-phenylacetamide
CID 7647127
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]pentanamide?
The IUPAC name of N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]pentanamide (CID 4870056) is N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]pentanamide.
What is the SMILES notation for N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]pentanamide?
The canonical SMILES for N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]pentanamide is CCCCC(=O)Nc1c(-c2cccc(OC)c2)c(=O)c2ccccc2n1C.
What is the InChIKey of N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]pentanamide?
The InChIKey is BKCLJABTEHTQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-4-5-13-19(25)23-22-20(15-9-8-10-16(14-15)27-3)21(26)17-11-6-7-12-18(17)24(22)2/h6-12,14H,4-5,13H2,1-3H3,(H,23,25).
What are the key properties of N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]pentanamide?
N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]pentanamide has a molecular weight of 364.45 g/mol, XLogP of 4.34, 6 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]pentanamide is sourced from PubChem (CID 4870056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).