4H-pyrido[2,3-g][2]benzazepine-3-carboxylic acid

C14H10N2O2 — CID 141197315

IUPAC4H-pyrido[2,3-g][2]benzazepine-3-carboxylic acid
SMILESO=C(O)C1=CN=c2c(ccc3c2=CC=CN=C3)C1
InChIInChI=1S/C14H10N2O2/c17-14(18)11-6-9-3-4-10-7-15-5-1-2-12(10)13(9)16-8-11/h1-5,7-8H,6H2,(H,17,18)
InChIKeyBMZKRFOTKSWJGO-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.56
Rot. Bonds1

About 4H-pyrido[2,3-g][2]benzazepine-3-carboxylic acid

4H-pyrido[2,3-g][2]benzazepine-3-carboxylic acid (PubChem CID 141197315) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 4H-pyrido[2,3-g][2]benzazepine-3-carboxylic acid.

Molecular Properties

Compound Name4H-pyrido[2,3-g][2]benzazepine-3-carboxylic acid
PubChem CID141197315
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name4H-pyrido[2,3-g][2]benzazepine-3-carboxylic acid
SMILESO=C(O)C1=CN=c2c(ccc3c2=CC=CN=C3)C1
InChIInChI=1S/C14H10N2O2/c17-14(18)11-6-9-3-4-10-7-15-5-1-2-12(10)13(9)16-8-11/h1-5,7-8H,6H2,(H,17,18)
InChIKeyBMZKRFOTKSWJGO-UHFFFAOYSA-N
XLogP0.56
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4H-pyrido[2,3-g][2]benzazepine-3-carboxylic acid?
The IUPAC name of 4H-pyrido[2,3-g][2]benzazepine-3-carboxylic acid (CID 141197315) is 4H-pyrido[2,3-g][2]benzazepine-3-carboxylic acid.
What is the SMILES notation for 4H-pyrido[2,3-g][2]benzazepine-3-carboxylic acid?
The canonical SMILES for 4H-pyrido[2,3-g][2]benzazepine-3-carboxylic acid is O=C(O)C1=CN=c2c(ccc3c2=CC=CN=C3)C1.
What is the InChIKey of 4H-pyrido[2,3-g][2]benzazepine-3-carboxylic acid?
The InChIKey is BMZKRFOTKSWJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-14(18)11-6-9-3-4-10-7-15-5-1-2-12(10)13(9)16-8-11/h1-5,7-8H,6H2,(H,17,18).
What are the key properties of 4H-pyrido[2,3-g][2]benzazepine-3-carboxylic acid?
4H-pyrido[2,3-g][2]benzazepine-3-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyrido[2,3-g][2]benzazepine-3-carboxylic acid is sourced from PubChem (CID 141197315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).