6-methoxy-3-(pyridine-4-carbonyl)-1H-quinolin-4-one

C16H12N2O3 — CID 42585812

IUPAC6-methoxy-3-(pyridine-4-carbonyl)-1H-quinolin-4-one
SMILESCOc1ccc2[nH]cc(C(=O)c3ccncc3)c(=O)c2c1
InChIInChI=1S/C16H12N2O3/c1-21-11-2-3-14-12(8-11)16(20)13(9-18-14)15(19)10-4-6-17-7-5-10/h2-9H,1H3,(H,18,20)
InChIKeyPRWZRSOSMOPGBB-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.16
Rot. Bonds3

About 6-methoxy-3-(pyridine-4-carbonyl)-1H-quinolin-4-one

6-methoxy-3-(pyridine-4-carbonyl)-1H-quinolin-4-one (PubChem CID 42585812) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 6-methoxy-3-(pyridine-4-carbonyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-methoxy-3-(pyridine-4-carbonyl)-1H-quinolin-4-one
PubChem CID42585812
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name6-methoxy-3-(pyridine-4-carbonyl)-1H-quinolin-4-one
SMILESCOc1ccc2[nH]cc(C(=O)c3ccncc3)c(=O)c2c1
InChIInChI=1S/C16H12N2O3/c1-21-11-2-3-14-12(8-11)16(20)13(9-18-14)15(19)10-4-6-17-7-5-10/h2-9H,1H3,(H,18,20)
InChIKeyPRWZRSOSMOPGBB-UHFFFAOYSA-N
XLogP2.16
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
6,7-dimethyl-3-(pyridine-4-carbonyl)-1H-quinolin-4-one
CID 52998483
6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride
CID 172818183
6,7-dimethoxy-3-(4-methoxybenzoyl)-1H-quinolin-4-one
CID 53337333
6-ethoxy-3-(3-methoxybenzoyl)-1H-quinolin-4-one
CID 4609629
3-(3-methoxybenzoyl)-6-methyl-1H-quinolin-4-one
CID 4609633
6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide
CID 95233454
3-benzoyl-6-ethoxy-1H-quinolin-4-one
CID 4605296
(5-bromo-3-pyridinyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43340450
4-(5-methoxy-1H-indole-3-carbonyl)benzonitrile
CID 53417893
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde
CID 50901388
N-(2-hydroxyethyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43813799

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(pyridine-4-carbonyl)-1H-quinolin-4-one?
The IUPAC name of 6-methoxy-3-(pyridine-4-carbonyl)-1H-quinolin-4-one (CID 42585812) is 6-methoxy-3-(pyridine-4-carbonyl)-1H-quinolin-4-one.
What is the SMILES notation for 6-methoxy-3-(pyridine-4-carbonyl)-1H-quinolin-4-one?
The canonical SMILES for 6-methoxy-3-(pyridine-4-carbonyl)-1H-quinolin-4-one is COc1ccc2[nH]cc(C(=O)c3ccncc3)c(=O)c2c1.
What is the InChIKey of 6-methoxy-3-(pyridine-4-carbonyl)-1H-quinolin-4-one?
The InChIKey is PRWZRSOSMOPGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-21-11-2-3-14-12(8-11)16(20)13(9-18-14)15(19)10-4-6-17-7-5-10/h2-9H,1H3,(H,18,20).
What are the key properties of 6-methoxy-3-(pyridine-4-carbonyl)-1H-quinolin-4-one?
6-methoxy-3-(pyridine-4-carbonyl)-1H-quinolin-4-one has a molecular weight of 280.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(pyridine-4-carbonyl)-1H-quinolin-4-one is sourced from PubChem (CID 42585812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).