ethane;1H-pyrido[2,3-h][2,3]benzoxazine-4-carboxylic acid

C14H14N2O3 — CID 145153993

IUPACethane;1H-pyrido[2,3-h][2,3]benzoxazine-4-carboxylic acid
SMILESCC.O=C(O)C1=NOCc2c1ccc1ncccc21
InChIInChI=1S/C12H8N2O3.C2H6/c15-12(16)11-8-3-4-10-7(2-1-5-13-10)9(8)6-17-14-11;1-2/h1-5H,6H2,(H,15,16);1-2H3
InChIKeyBCNPYIJPFHPSMR-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.58
Rot. Bonds1

About ethane;1H-pyrido[2,3-h][2,3]benzoxazine-4-carboxylic acid

ethane;1H-pyrido[2,3-h][2,3]benzoxazine-4-carboxylic acid (PubChem CID 145153993) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is ethane;1H-pyrido[2,3-h][2,3]benzoxazine-4-carboxylic acid.

Molecular Properties

Compound Nameethane;1H-pyrido[2,3-h][2,3]benzoxazine-4-carboxylic acid
PubChem CID145153993
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Nameethane;1H-pyrido[2,3-h][2,3]benzoxazine-4-carboxylic acid
SMILESCC.O=C(O)C1=NOCc2c1ccc1ncccc21
InChIInChI=1S/C12H8N2O3.C2H6/c15-12(16)11-8-3-4-10-7(2-1-5-13-10)9(8)6-17-14-11;1-2/h1-5H,6H2,(H,15,16);1-2H3
InChIKeyBCNPYIJPFHPSMR-UHFFFAOYSA-N
XLogP2.58
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;quinoline-6-carboxylic acid
CID 91364452
5-aminoquinoline-6-carboxylic acid
CID 13221190
methyl 5-fluoroquinoline-6-carboxylate
CID 118665149
1-(1,6-naphthyridin-5-yl)ethanone
CID 130047665
2-acetyl-1,7-phenanthroline-4-carboxylic acid
CID 175126800
1-bromofuro[3,2-f]quinoline-2-carboxylic acid
CID 175548798
(3-fluorophenyl)-quinolin-5-ylmethanone
CID 81216607
quinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid
CID 69438515
(2S)-2-methyl-1,2-dihydrofuro[3,2-f]quinoline
CID 97036783
3-(oxolan-2-yl)-1-quinolin-5-ylpropan-1-one
CID 115789835
2-[methyl(1,6-naphthyridine-5-carbonyl)amino]acetic acid
CID 166372467
(3-methyl-2-pyridinyl)-quinolin-5-ylmethanone
CID 81220476

Frequently Asked Questions

What is the IUPAC name of ethane;1H-pyrido[2,3-h][2,3]benzoxazine-4-carboxylic acid?
The IUPAC name of ethane;1H-pyrido[2,3-h][2,3]benzoxazine-4-carboxylic acid (CID 145153993) is ethane;1H-pyrido[2,3-h][2,3]benzoxazine-4-carboxylic acid.
What is the SMILES notation for ethane;1H-pyrido[2,3-h][2,3]benzoxazine-4-carboxylic acid?
The canonical SMILES for ethane;1H-pyrido[2,3-h][2,3]benzoxazine-4-carboxylic acid is CC.O=C(O)C1=NOCc2c1ccc1ncccc21.
What is the InChIKey of ethane;1H-pyrido[2,3-h][2,3]benzoxazine-4-carboxylic acid?
The InChIKey is BCNPYIJPFHPSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3.C2H6/c15-12(16)11-8-3-4-10-7(2-1-5-13-10)9(8)6-17-14-11;1-2/h1-5H,6H2,(H,15,16);1-2H3.
What are the key properties of ethane;1H-pyrido[2,3-h][2,3]benzoxazine-4-carboxylic acid?
ethane;1H-pyrido[2,3-h][2,3]benzoxazine-4-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1H-pyrido[2,3-h][2,3]benzoxazine-4-carboxylic acid is sourced from PubChem (CID 145153993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).