1-butyl-3-(4-methoxybenzoyl)quinolin-4-one

C21H21NO3 — CID 23634666

IUPAC1-butyl-3-(4-methoxybenzoyl)quinolin-4-one
SMILESCCCCn1cc(C(=O)c2ccc(OC)cc2)c(=O)c2ccccc21
InChIInChI=1S/C21H21NO3/c1-3-4-13-22-14-18(21(24)17-7-5-6-8-19(17)22)20(23)15-9-11-16(25-2)12-10-15/h5-12,14H,3-4,13H2,1-2H3
InChIKeyXNKAQWRTJJHSCD-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.04
Rot. Bonds6

About 1-butyl-3-(4-methoxybenzoyl)quinolin-4-one

1-butyl-3-(4-methoxybenzoyl)quinolin-4-one (PubChem CID 23634666) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-butyl-3-(4-methoxybenzoyl)quinolin-4-one.

Molecular Properties

Compound Name1-butyl-3-(4-methoxybenzoyl)quinolin-4-one
PubChem CID23634666
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name1-butyl-3-(4-methoxybenzoyl)quinolin-4-one
SMILESCCCCn1cc(C(=O)c2ccc(OC)cc2)c(=O)c2ccccc21
InChIInChI=1S/C21H21NO3/c1-3-4-13-22-14-18(21(24)17-7-5-6-8-19(17)22)20(23)15-9-11-16(25-2)12-10-15/h5-12,14H,3-4,13H2,1-2H3
InChIKeyXNKAQWRTJJHSCD-UHFFFAOYSA-N
XLogP4.04
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-4-oxo-1-pentylquinoline-3-carboxamide
CID 11523434
N-[(4-methoxyphenyl)methyl]-4-oxo-1-pentylquinoline-3-carboxamide
CID 11639466
ethyl 4-[3-(4-methoxybenzoyl)indol-1-yl]butanoate
CID 10959466
(4-methylphenyl)-(1-pentylindol-3-yl)methanone
CID 170857148
(1-decylindol-3-yl)-(4-iodophenyl)methanone
CID 170857204
4-[3-(4-hexoxybenzoyl)indol-1-yl]butanoic acid
CID 54054546
(4-methoxyphenyl)-[1-[(Z)-4-phenylbut-3-enyl]indol-3-yl]methanone
CID 122219338
(2-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 11268746
6-methoxy-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]quinolin-4-one
CID 20864686
(4-methylphenyl)-(1-propylindol-3-yl)methanone
CID 170857121
1-benzyl-3-(3,4-dimethoxybenzoyl)quinolin-4-one
CID 2137046
N-(3,3-dimethyl-2-oxobutyl)-4-oxo-1-pentylquinoline-3-carboxamide
CID 71019902

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(4-methoxybenzoyl)quinolin-4-one?
The IUPAC name of 1-butyl-3-(4-methoxybenzoyl)quinolin-4-one (CID 23634666) is 1-butyl-3-(4-methoxybenzoyl)quinolin-4-one.
What is the SMILES notation for 1-butyl-3-(4-methoxybenzoyl)quinolin-4-one?
The canonical SMILES for 1-butyl-3-(4-methoxybenzoyl)quinolin-4-one is CCCCn1cc(C(=O)c2ccc(OC)cc2)c(=O)c2ccccc21.
What is the InChIKey of 1-butyl-3-(4-methoxybenzoyl)quinolin-4-one?
The InChIKey is XNKAQWRTJJHSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-3-4-13-22-14-18(21(24)17-7-5-6-8-19(17)22)20(23)15-9-11-16(25-2)12-10-15/h5-12,14H,3-4,13H2,1-2H3.
What are the key properties of 1-butyl-3-(4-methoxybenzoyl)quinolin-4-one?
1-butyl-3-(4-methoxybenzoyl)quinolin-4-one has a molecular weight of 335.40 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(4-methoxybenzoyl)quinolin-4-one is sourced from PubChem (CID 23634666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).