9-methoxy-4-oxoquinolizine-3-carboxylic acid

C11H9NO4 — CID 56617934

IUPAC9-methoxy-4-oxoquinolizine-3-carboxylic acid
SMILESCOc1cccn2c(=O)c(C(=O)O)ccc12
InChIInChI=1S/C11H9NO4/c1-16-9-3-2-6-12-8(9)5-4-7(10(12)13)11(14)15/h2-6H,1H3,(H,14,15)
InChIKeyAWQRXTWONPBUCC-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.01
Rot. Bonds2

About 9-methoxy-4-oxoquinolizine-3-carboxylic acid

9-methoxy-4-oxoquinolizine-3-carboxylic acid (PubChem CID 56617934) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is 9-methoxy-4-oxoquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name9-methoxy-4-oxoquinolizine-3-carboxylic acid
PubChem CID56617934
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name9-methoxy-4-oxoquinolizine-3-carboxylic acid
SMILESCOc1cccn2c(=O)c(C(=O)O)ccc12
InChIInChI=1S/C11H9NO4/c1-16-9-3-2-6-12-8(9)5-4-7(10(12)13)11(14)15/h2-6H,1H3,(H,14,15)
InChIKeyAWQRXTWONPBUCC-UHFFFAOYSA-N
XLogP1.01
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-2-oxopyridine-3-carboxylic acid
CID 90711575
1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylic acid
CID 22309095
8-methoxyindolizine-1-carboxylic acid
CID 169203127
3-(2-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117252544
1-(2-fluoro-6-methoxyphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
CID 139337963
1-(5-chloro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid
CID 94288870
1-fluoro-4-oxoquinolizine-3-carboxylic acid
CID 56610835
(2S)-2-(3-methoxy-2-oxo-1-pyridinyl)propanoic acid
CID 93203665
6-(2-methoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid
CID 82099893
1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid
CID 82099895
2-methoxybenzoic acid;bis(propan-2-ol)
CID 130236181
2-bromo-4-(2-methoxyphenoxy)benzoic acid
CID 107282440

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-4-oxoquinolizine-3-carboxylic acid?
The IUPAC name of 9-methoxy-4-oxoquinolizine-3-carboxylic acid (CID 56617934) is 9-methoxy-4-oxoquinolizine-3-carboxylic acid.
What is the SMILES notation for 9-methoxy-4-oxoquinolizine-3-carboxylic acid?
The canonical SMILES for 9-methoxy-4-oxoquinolizine-3-carboxylic acid is COc1cccn2c(=O)c(C(=O)O)ccc12.
What is the InChIKey of 9-methoxy-4-oxoquinolizine-3-carboxylic acid?
The InChIKey is AWQRXTWONPBUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c1-16-9-3-2-6-12-8(9)5-4-7(10(12)13)11(14)15/h2-6H,1H3,(H,14,15).
What are the key properties of 9-methoxy-4-oxoquinolizine-3-carboxylic acid?
9-methoxy-4-oxoquinolizine-3-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-4-oxoquinolizine-3-carboxylic acid is sourced from PubChem (CID 56617934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).