6H-pyrido[2,3-c][5,2]benzoxazonine-13-carboxylic acid

C15H12N2O3 — CID 172800429

IUPAC6H-pyrido[2,3-c][5,2]benzoxazonine-13-carboxylic acid
SMILESO=C(O)N1C=c2ccccc2=CCOc2cccnc21
InChIInChI=1S/C15H12N2O3/c18-15(19)17-10-12-5-2-1-4-11(12)7-9-20-13-6-3-8-16-14(13)17/h1-8,10H,9H2,(H,18,19)
InChIKeyQUBXCWPMWVRKAW-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.18
Rot. Bonds

About 6H-pyrido[2,3-c][5,2]benzoxazonine-13-carboxylic acid

6H-pyrido[2,3-c][5,2]benzoxazonine-13-carboxylic acid (PubChem CID 172800429) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 6H-pyrido[2,3-c][5,2]benzoxazonine-13-carboxylic acid.

Molecular Properties

Compound Name6H-pyrido[2,3-c][5,2]benzoxazonine-13-carboxylic acid
PubChem CID172800429
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name6H-pyrido[2,3-c][5,2]benzoxazonine-13-carboxylic acid
SMILESO=C(O)N1C=c2ccccc2=CCOc2cccnc21
InChIInChI=1S/C15H12N2O3/c18-15(19)17-10-12-5-2-1-4-11(12)7-9-20-13-6-3-8-16-14(13)17/h1-8,10H,9H2,(H,18,19)
InChIKeyQUBXCWPMWVRKAW-UHFFFAOYSA-N
XLogP1.18
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6H-pyrido[2,3-c][5,2]benzoxazonine-13-carboxylic acid?
The IUPAC name of 6H-pyrido[2,3-c][5,2]benzoxazonine-13-carboxylic acid (CID 172800429) is 6H-pyrido[2,3-c][5,2]benzoxazonine-13-carboxylic acid.
What is the SMILES notation for 6H-pyrido[2,3-c][5,2]benzoxazonine-13-carboxylic acid?
The canonical SMILES for 6H-pyrido[2,3-c][5,2]benzoxazonine-13-carboxylic acid is O=C(O)N1C=c2ccccc2=CCOc2cccnc21.
What is the InChIKey of 6H-pyrido[2,3-c][5,2]benzoxazonine-13-carboxylic acid?
The InChIKey is QUBXCWPMWVRKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-15(19)17-10-12-5-2-1-4-11(12)7-9-20-13-6-3-8-16-14(13)17/h1-8,10H,9H2,(H,18,19).
What are the key properties of 6H-pyrido[2,3-c][5,2]benzoxazonine-13-carboxylic acid?
6H-pyrido[2,3-c][5,2]benzoxazonine-13-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-pyrido[2,3-c][5,2]benzoxazonine-13-carboxylic acid is sourced from PubChem (CID 172800429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).