2-methyl-4-oxoquinolizine-1-carboxylic acid;hydrochloride

C11H10ClNO3 — CID 140972678

IUPAC2-methyl-4-oxoquinolizine-1-carboxylic acid;hydrochloride
SMILESCc1cc(=O)n2ccccc2c1C(=O)O.Cl
InChIInChI=1S/C11H9NO3.ClH/c1-7-6-9(13)12-5-3-2-4-8(12)10(7)11(14)15;/h2-6H,1H3,(H,14,15);1H
InChIKeyUKMBNHMCVYLIKG-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.73
Rot. Bonds1

About 2-methyl-4-oxoquinolizine-1-carboxylic acid;hydrochloride

2-methyl-4-oxoquinolizine-1-carboxylic acid;hydrochloride (PubChem CID 140972678) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is 2-methyl-4-oxoquinolizine-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-methyl-4-oxoquinolizine-1-carboxylic acid;hydrochloride
PubChem CID140972678
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Name2-methyl-4-oxoquinolizine-1-carboxylic acid;hydrochloride
SMILESCc1cc(=O)n2ccccc2c1C(=O)O.Cl
InChIInChI=1S/C11H9NO3.ClH/c1-7-6-9(13)12-5-3-2-4-8(12)10(7)11(14)15;/h2-6H,1H3,(H,14,15);1H
InChIKeyUKMBNHMCVYLIKG-UHFFFAOYSA-N
XLogP1.73
TPSA58.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-methylindolizine-1-carboxylic acid
CID 174650392
pyrido[2,3-b]indolizine-10-carboxylic acid
CID 112545488
acetic acid;1,3-dimethylindolizine;ethane;uranium
CID 160817934
ethyl 4-oxo-2-thiophen-2-ylquinolizine-1-carboxylate
CID 138971000
2,4-dimethylnaphthalene-1-carboxylic acid
CID 100912182
3-(4-amino-3-methoxycarbonylbenzoyl)-2-methylindolizine-1-carboxylic acid
CID 151503394
2,4,6-trimethylbenzoic acid;hydrochloride
CID 69338444
1-fluoro-4-oxoquinolizine-3-carboxylic acid
CID 56610835
methyl 2-(1-benzoyl-2-methylindolizin-3-yl)-2-oxoacetate
CID 69122341
2-chloro-6-methyl-4-phenylbenzoic acid
CID 140590152
[phenyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;hydrochloride
CID 175227644
ethyl 3-ethylindolizine-1-carboxylate
CID 3747254

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-oxoquinolizine-1-carboxylic acid;hydrochloride?
The IUPAC name of 2-methyl-4-oxoquinolizine-1-carboxylic acid;hydrochloride (CID 140972678) is 2-methyl-4-oxoquinolizine-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-methyl-4-oxoquinolizine-1-carboxylic acid;hydrochloride?
The canonical SMILES for 2-methyl-4-oxoquinolizine-1-carboxylic acid;hydrochloride is Cc1cc(=O)n2ccccc2c1C(=O)O.Cl.
What is the InChIKey of 2-methyl-4-oxoquinolizine-1-carboxylic acid;hydrochloride?
The InChIKey is UKMBNHMCVYLIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3.ClH/c1-7-6-9(13)12-5-3-2-4-8(12)10(7)11(14)15;/h2-6H,1H3,(H,14,15);1H.
What are the key properties of 2-methyl-4-oxoquinolizine-1-carboxylic acid;hydrochloride?
2-methyl-4-oxoquinolizine-1-carboxylic acid;hydrochloride has a molecular weight of 239.66 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-oxoquinolizine-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 140972678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).