6,7-dimethoxy-3-(4-methoxybenzoyl)-1H-quinolin-4-one

C19H17NO5 — CID 53337333

IUPAC6,7-dimethoxy-3-(4-methoxybenzoyl)-1H-quinolin-4-one
SMILESCOc1ccc(C(=O)c2c[nH]c3cc(OC)c(OC)cc3c2=O)cc1
InChIInChI=1S/C19H17NO5/c1-23-12-6-4-11(5-7-12)18(21)14-10-20-15-9-17(25-3)16(24-2)8-13(15)19(14)22/h4-10H,1-3H3,(H,20,22)
InChIKeyIVZXTXPRXDDOQJ-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.78
Rot. Bonds5

About 6,7-dimethoxy-3-(4-methoxybenzoyl)-1H-quinolin-4-one

6,7-dimethoxy-3-(4-methoxybenzoyl)-1H-quinolin-4-one (PubChem CID 53337333) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 6,7-dimethoxy-3-(4-methoxybenzoyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-3-(4-methoxybenzoyl)-1H-quinolin-4-one
PubChem CID53337333
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name6,7-dimethoxy-3-(4-methoxybenzoyl)-1H-quinolin-4-one
SMILESCOc1ccc(C(=O)c2c[nH]c3cc(OC)c(OC)cc3c2=O)cc1
InChIInChI=1S/C19H17NO5/c1-23-12-6-4-11(5-7-12)18(21)14-10-20-15-9-17(25-3)16(24-2)8-13(15)19(14)22/h4-10H,1-3H3,(H,20,22)
InChIKeyIVZXTXPRXDDOQJ-UHFFFAOYSA-N
XLogP2.78
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-3-(pyridine-4-carbonyl)-1H-quinolin-4-one
CID 42585812
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
3-(3,4-dimethoxybenzoyl)-1H-quinolin-4-one
CID 53337347
3-(2-benzylbenzoyl)-6,7-dimethoxy-1H-quinolin-4-one
CID 166439485
6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid
CID 118451648
3-(4-methoxybenzoyl)-1H-indole-6-carbonitrile
CID 107916754
6,7-dimethyl-3-(pyridine-4-carbonyl)-1H-quinolin-4-one
CID 52998483
3-(3-methoxybenzoyl)-6-methyl-1H-quinolin-4-one
CID 4609633
6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride
CID 172818183
6-ethoxy-3-(3-methoxybenzoyl)-1H-quinolin-4-one
CID 4609629
3-benzoyl-6-ethoxy-1H-quinolin-4-one
CID 4605296
(7-acetyloxy-3-carbonochloridoyl-4-oxo-1H-quinolin-6-yl) acetate
CID 13131775

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-(4-methoxybenzoyl)-1H-quinolin-4-one?
The IUPAC name of 6,7-dimethoxy-3-(4-methoxybenzoyl)-1H-quinolin-4-one (CID 53337333) is 6,7-dimethoxy-3-(4-methoxybenzoyl)-1H-quinolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-3-(4-methoxybenzoyl)-1H-quinolin-4-one?
The canonical SMILES for 6,7-dimethoxy-3-(4-methoxybenzoyl)-1H-quinolin-4-one is COc1ccc(C(=O)c2c[nH]c3cc(OC)c(OC)cc3c2=O)cc1.
What is the InChIKey of 6,7-dimethoxy-3-(4-methoxybenzoyl)-1H-quinolin-4-one?
The InChIKey is IVZXTXPRXDDOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-23-12-6-4-11(5-7-12)18(21)14-10-20-15-9-17(25-3)16(24-2)8-13(15)19(14)22/h4-10H,1-3H3,(H,20,22).
What are the key properties of 6,7-dimethoxy-3-(4-methoxybenzoyl)-1H-quinolin-4-one?
6,7-dimethoxy-3-(4-methoxybenzoyl)-1H-quinolin-4-one has a molecular weight of 339.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-(4-methoxybenzoyl)-1H-quinolin-4-one is sourced from PubChem (CID 53337333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).