4H-pyrido[2,1-a]phthalazine-11-carboxylic acid

C13H10N2O2 — CID 162350253

IUPAC4H-pyrido[2,1-a]phthalazine-11-carboxylic acid
SMILESO=C(O)c1cccc2c1C1=CC=CCN1N=C2
InChIInChI=1S/C13H10N2O2/c16-13(17)10-5-3-4-9-8-14-15-7-2-1-6-11(15)12(9)10/h1-6,8H,7H2,(H,16,17)
InChIKeyRQPRKLMENIAIMW-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.95
Rot. Bonds1

About 4H-pyrido[2,1-a]phthalazine-11-carboxylic acid

4H-pyrido[2,1-a]phthalazine-11-carboxylic acid (PubChem CID 162350253) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4H-pyrido[2,1-a]phthalazine-11-carboxylic acid.

Molecular Properties

Compound Name4H-pyrido[2,1-a]phthalazine-11-carboxylic acid
PubChem CID162350253
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name4H-pyrido[2,1-a]phthalazine-11-carboxylic acid
SMILESO=C(O)c1cccc2c1C1=CC=CCN1N=C2
InChIInChI=1S/C13H10N2O2/c16-13(17)10-5-3-4-9-8-14-15-7-2-1-6-11(15)12(9)10/h1-6,8H,7H2,(H,16,17)
InChIKeyRQPRKLMENIAIMW-UHFFFAOYSA-N
XLogP1.95
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4H-pyrido[2,1-a]phthalazine-8-carboxylic acid
CID 135290327
1-benzazocine-10-carboxylic acid
CID 174417269
6-phenyl-2H-pyridine-1-carboxylic acid
CID 68789885
1,7-dihydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 175180403
2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid
CID 101121393
2-(cyclopenta-1,3-diene-1-carbonyl)benzoic acid
CID 517151
hydride;phthalic acid;rubidium(1+)
CID 173256629
2-iodo-3-(pyrrolidine-1-carbonyl)benzoic acid
CID 169449836
hydroxy(trimethyl)silane;phthalic acid
CID 175037657
cyclobutanone;2-methylbenzene-1,3-dicarboxylic acid
CID 174422284
4H-benzo[a]quinolizine-10-carboxylic acid
CID 150508823
8-(pyrrolidine-1-carbonyl)naphthalene-1-carboxylic acid
CID 16773543

Frequently Asked Questions

What is the IUPAC name of 4H-pyrido[2,1-a]phthalazine-11-carboxylic acid?
The IUPAC name of 4H-pyrido[2,1-a]phthalazine-11-carboxylic acid (CID 162350253) is 4H-pyrido[2,1-a]phthalazine-11-carboxylic acid.
What is the SMILES notation for 4H-pyrido[2,1-a]phthalazine-11-carboxylic acid?
The canonical SMILES for 4H-pyrido[2,1-a]phthalazine-11-carboxylic acid is O=C(O)c1cccc2c1C1=CC=CCN1N=C2.
What is the InChIKey of 4H-pyrido[2,1-a]phthalazine-11-carboxylic acid?
The InChIKey is RQPRKLMENIAIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-13(17)10-5-3-4-9-8-14-15-7-2-1-6-11(15)12(9)10/h1-6,8H,7H2,(H,16,17).
What are the key properties of 4H-pyrido[2,1-a]phthalazine-11-carboxylic acid?
4H-pyrido[2,1-a]phthalazine-11-carboxylic acid has a molecular weight of 226.24 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyrido[2,1-a]phthalazine-11-carboxylic acid is sourced from PubChem (CID 162350253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).