2-pyridin-3-ylbenzo[h]quinoline-4-carboxylic acid

C19H12N2O2 — CID 627135

IUPAC2-pyridin-3-ylbenzo[h]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccnc2)nc2c1ccc1ccccc12
InChIInChI=1S/C19H12N2O2/c22-19(23)16-10-17(13-5-3-9-20-11-13)21-18-14-6-2-1-4-12(14)7-8-15(16)18/h1-11H,(H,22,23)
InChIKeyYBKWYZRAQWZZBP-UHFFFAOYSA-N
MW300.32 g/mol
LogP4.15
Rot. Bonds2

About 2-pyridin-3-ylbenzo[h]quinoline-4-carboxylic acid

2-pyridin-3-ylbenzo[h]quinoline-4-carboxylic acid (PubChem CID 627135) has the molecular formula C19H12N2O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-pyridin-3-ylbenzo[h]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-pyridin-3-ylbenzo[h]quinoline-4-carboxylic acid
PubChem CID627135
Molecular FormulaC19H12N2O2
Molecular Weight300.32 g/mol
Exact Mass300.09
IUPAC Name2-pyridin-3-ylbenzo[h]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccnc2)nc2c1ccc1ccccc12
InChIInChI=1S/C19H12N2O2/c22-19(23)16-10-17(13-5-3-9-20-11-13)21-18-14-6-2-1-4-12(14)7-8-15(16)18/h1-11H,(H,22,23)
InChIKeyYBKWYZRAQWZZBP-UHFFFAOYSA-N
XLogP4.15
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-pyridin-3-ylbenzo[h]quinoline-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-ylbenzo[h]quinoline-4-carboxylic acid?
The IUPAC name of 2-pyridin-3-ylbenzo[h]quinoline-4-carboxylic acid (CID 627135) is 2-pyridin-3-ylbenzo[h]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-pyridin-3-ylbenzo[h]quinoline-4-carboxylic acid?
The canonical SMILES for 2-pyridin-3-ylbenzo[h]quinoline-4-carboxylic acid is O=C(O)c1cc(-c2cccnc2)nc2c1ccc1ccccc12.
What is the InChIKey of 2-pyridin-3-ylbenzo[h]quinoline-4-carboxylic acid?
The InChIKey is YBKWYZRAQWZZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O2/c22-19(23)16-10-17(13-5-3-9-20-11-13)21-18-14-6-2-1-4-12(14)7-8-15(16)18/h1-11H,(H,22,23).
What are the key properties of 2-pyridin-3-ylbenzo[h]quinoline-4-carboxylic acid?
2-pyridin-3-ylbenzo[h]quinoline-4-carboxylic acid has a molecular weight of 300.32 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-ylbenzo[h]quinoline-4-carboxylic acid is sourced from PubChem (CID 627135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).