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

C21H22N2O3 — CID 4906475

IUPACN-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]butanamide
SMILESCCCC(=O)Nc1c(-c2cccc(OC)c2)c(=O)c2ccccc2n1C
InChIInChI=1S/C21H22N2O3/c1-4-8-18(24)22-21-19(14-9-7-10-15(13-14)26-3)20(25)16-11-5-6-12-17(16)23(21)2/h5-7,9-13H,4,8H2,1-3H3,(H,22,24)
InChIKeyDUHYEIYNWDUVNQ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.95
Rot. Bonds5

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

N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]butanamide (PubChem CID 4906475) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]butanamide.

Molecular Properties

Compound NameN-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]butanamide
PubChem CID4906475
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]butanamide
SMILESCCCC(=O)Nc1c(-c2cccc(OC)c2)c(=O)c2ccccc2n1C
InChIInChI=1S/C21H22N2O3/c1-4-8-18(24)22-21-19(14-9-7-10-15(13-14)26-3)20(25)16-11-5-6-12-17(16)23(21)2/h5-7,9-13H,4,8H2,1-3H3,(H,22,24)
InChIKeyDUHYEIYNWDUVNQ-UHFFFAOYSA-N
XLogP3.95
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Encainide
CID 48041
6-Methoxy-1-methyl-2-phenyl-4(1H)-quinolinone
CID 622180
3-[(2-Methoxyphenyl)methyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one
CID 866360
6-Methoxy-2-phenyl-4-quinolone
CID 124348
2-(3-(Benzyloxy)phenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 300572
2-(2-ethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 292560
2-(3-Methoxy-phenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one
CID 379514
2,2-diethyl-3-(4-methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 703596
3-(4-Ethoxyphenyl)-2-ethyl-2-methyl-1,2,3-trihydroquinazolin-4-one
CID 4423590
2-(4-methoxyanilino)-4(3H)-quinazolinone
CID 135444387
3-(4-methoxyphenyl)-2,2-dimethyl-1H-quinazolin-4-one
CID 919612
N-[3-(2-methoxyphenyl)-1-methyl-4-oxo-2-quinolinyl]-2-methylpropanamide
CID 2029483

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]butanamide?
The IUPAC name of N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]butanamide (CID 4906475) is N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]butanamide.
What is the SMILES notation for N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]butanamide?
The canonical SMILES for N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]butanamide is CCCC(=O)Nc1c(-c2cccc(OC)c2)c(=O)c2ccccc2n1C.
What is the InChIKey of N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]butanamide?
The InChIKey is DUHYEIYNWDUVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-4-8-18(24)22-21-19(14-9-7-10-15(13-14)26-3)20(25)16-11-5-6-12-17(16)23(21)2/h5-7,9-13H,4,8H2,1-3H3,(H,22,24).
What are the key properties of N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]butanamide?
N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]butanamide has a molecular weight of 350.42 g/mol, XLogP of 3.95, 5 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]butanamide is sourced from PubChem (CID 4906475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).