6-ethoxy-3-(3-methoxybenzoyl)-1H-quinolin-4-one

C19H17NO4 — CID 4609629

IUPAC6-ethoxy-3-(3-methoxybenzoyl)-1H-quinolin-4-one
SMILESCCOc1ccc2[nH]cc(C(=O)c3cccc(OC)c3)c(=O)c2c1
InChIInChI=1S/C19H17NO4/c1-3-24-14-7-8-17-15(10-14)19(22)16(11-20-17)18(21)12-5-4-6-13(9-12)23-2/h4-11H,3H2,1-2H3,(H,20,22)
InChIKeyRMYZPAICRJTEEG-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.17
Rot. Bonds5

About 6-ethoxy-3-(3-methoxybenzoyl)-1H-quinolin-4-one

6-ethoxy-3-(3-methoxybenzoyl)-1H-quinolin-4-one (PubChem CID 4609629) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 6-ethoxy-3-(3-methoxybenzoyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-ethoxy-3-(3-methoxybenzoyl)-1H-quinolin-4-one
PubChem CID4609629
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name6-ethoxy-3-(3-methoxybenzoyl)-1H-quinolin-4-one
SMILESCCOc1ccc2[nH]cc(C(=O)c3cccc(OC)c3)c(=O)c2c1
InChIInChI=1S/C19H17NO4/c1-3-24-14-7-8-17-15(10-14)19(22)16(11-20-17)18(21)12-5-4-6-13(9-12)23-2/h4-11H,3H2,1-2H3,(H,20,22)
InChIKeyRMYZPAICRJTEEG-UHFFFAOYSA-N
XLogP3.17
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzoyl-6-ethoxy-1H-quinolin-4-one
CID 4605296
3-(3-methoxybenzoyl)-6-methyl-1H-quinolin-4-one
CID 4609633
(5-ethoxy-1H-indol-3-yl)-(3-methylphenyl)methanone
CID 80649082
6-methoxy-3-(pyridine-4-carbonyl)-1H-quinolin-4-one
CID 42585812
(5-bromo-1H-indol-3-yl)-(3-methoxyphenyl)methanone
CID 43162092
6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride
CID 172818183
3-(1-ethoxyethenyl)-6-methoxy-1H-quinolin-4-one
CID 89426524
6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide
CID 95233454
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
(2-ethoxyphenyl)-(3-methoxyphenyl)methanone
CID 62802553
6-ethoxy-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide
CID 18473151
6,7-dimethoxy-3-(4-methoxybenzoyl)-1H-quinolin-4-one
CID 53337333

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-(3-methoxybenzoyl)-1H-quinolin-4-one?
The IUPAC name of 6-ethoxy-3-(3-methoxybenzoyl)-1H-quinolin-4-one (CID 4609629) is 6-ethoxy-3-(3-methoxybenzoyl)-1H-quinolin-4-one.
What is the SMILES notation for 6-ethoxy-3-(3-methoxybenzoyl)-1H-quinolin-4-one?
The canonical SMILES for 6-ethoxy-3-(3-methoxybenzoyl)-1H-quinolin-4-one is CCOc1ccc2[nH]cc(C(=O)c3cccc(OC)c3)c(=O)c2c1.
What is the InChIKey of 6-ethoxy-3-(3-methoxybenzoyl)-1H-quinolin-4-one?
The InChIKey is RMYZPAICRJTEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-3-24-14-7-8-17-15(10-14)19(22)16(11-20-17)18(21)12-5-4-6-13(9-12)23-2/h4-11H,3H2,1-2H3,(H,20,22).
What are the key properties of 6-ethoxy-3-(3-methoxybenzoyl)-1H-quinolin-4-one?
6-ethoxy-3-(3-methoxybenzoyl)-1H-quinolin-4-one has a molecular weight of 323.35 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-(3-methoxybenzoyl)-1H-quinolin-4-one is sourced from PubChem (CID 4609629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).