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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Related Compounds

3-phenyl-2H-[1,3]oxazolo[4,5-b]pyridine
CID 140592211
phenyl-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 78806153
(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 8934171
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
2-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397164
N-(4-phenoxyphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346245
(2-phenylsulfanyl-3-pyridinyl)-pyrrolidin-1-ylmethanone
CID 78774467
(2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-phenylmethanone
CID 71327059
(2-anilino-3-pyridinyl)-morpholin-4-ylmethanone
CID 1440870
2,3-dihydropyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid
CID 91038203
2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 79181220
N-phenyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide
CID 26978473

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).