3-(3,4-dimethoxybenzoyl)-1H-quinolin-4-one

C18H15NO4 — CID 53337347

IUPAC3-(3,4-dimethoxybenzoyl)-1H-quinolin-4-one
SMILESCOc1ccc(C(=O)c2c[nH]c3ccccc3c2=O)cc1OC
InChIInChI=1S/C18H15NO4/c1-22-15-8-7-11(9-16(15)23-2)17(20)13-10-19-14-6-4-3-5-12(14)18(13)21/h3-10H,1-2H3,(H,19,21)
InChIKeyDWDDMTCDDMHANV-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.78
Rot. Bonds4

About 3-(3,4-dimethoxybenzoyl)-1H-quinolin-4-one

3-(3,4-dimethoxybenzoyl)-1H-quinolin-4-one (PubChem CID 53337347) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 3-(3,4-dimethoxybenzoyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(3,4-dimethoxybenzoyl)-1H-quinolin-4-one
PubChem CID53337347
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name3-(3,4-dimethoxybenzoyl)-1H-quinolin-4-one
SMILESCOc1ccc(C(=O)c2c[nH]c3ccccc3c2=O)cc1OC
InChIInChI=1S/C18H15NO4/c1-22-15-8-7-11(9-16(15)23-2)17(20)13-10-19-14-6-4-3-5-12(14)18(13)21/h3-10H,1-2H3,(H,19,21)
InChIKeyDWDDMTCDDMHANV-UHFFFAOYSA-N
XLogP2.78
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-indol-3-yl-(3-methoxy-4-methylphenyl)methanone
CID 43339248
6,7-dimethoxy-3-(4-methoxybenzoyl)-1H-quinolin-4-one
CID 53337333
N'-(2-methoxybenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide
CID 39848788
(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 15104433
3-(4-nitrobenzoyl)-1H-quinolin-4-one
CID 4606480
N-(1H-indol-3-ylmethyl)-3,4-dimethoxy-N-methylbenzamide
CID 110733002
1-[2-(3,4-dimethoxybenzoyl)phenyl]ethanone
CID 102341182
methyl 4-(1H-indole-3-carbonyl)benzoate
CID 139561809
N'-(3,4,5-trimethoxybenzoyl)-1H-indole-3-carbohydrazide
CID 30455105
1-benzyl-3-(3,4-dimethoxybenzoyl)quinolin-4-one
CID 2137046
3-(2-benzylbenzoyl)-6,7-dimethoxy-1H-quinolin-4-one
CID 166439485
3-(3-methoxybenzoyl)-6-methyl-1H-quinolin-4-one
CID 4609633

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxybenzoyl)-1H-quinolin-4-one?
The IUPAC name of 3-(3,4-dimethoxybenzoyl)-1H-quinolin-4-one (CID 53337347) is 3-(3,4-dimethoxybenzoyl)-1H-quinolin-4-one.
What is the SMILES notation for 3-(3,4-dimethoxybenzoyl)-1H-quinolin-4-one?
The canonical SMILES for 3-(3,4-dimethoxybenzoyl)-1H-quinolin-4-one is COc1ccc(C(=O)c2c[nH]c3ccccc3c2=O)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxybenzoyl)-1H-quinolin-4-one?
The InChIKey is DWDDMTCDDMHANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-22-15-8-7-11(9-16(15)23-2)17(20)13-10-19-14-6-4-3-5-12(14)18(13)21/h3-10H,1-2H3,(H,19,21).
What are the key properties of 3-(3,4-dimethoxybenzoyl)-1H-quinolin-4-one?
3-(3,4-dimethoxybenzoyl)-1H-quinolin-4-one has a molecular weight of 309.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxybenzoyl)-1H-quinolin-4-one is sourced from PubChem (CID 53337347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).