pyrido[2,3-h][1,4]benzoxazin-2-one

C11H6N2O2 — CID 141055478

IUPACpyrido[2,3-h][1,4]benzoxazin-2-one
SMILESO=c1cnc2ccc3ncccc3c2o1
InChIInChI=1S/C11H6N2O2/c14-10-6-13-9-4-3-8-7(11(9)15-10)2-1-5-12-8/h1-6H
InChIKeyGWEMNTSGPKINGA-UHFFFAOYSA-N
MW198.18 g/mol
LogP1.74
Rot. Bonds

About pyrido[2,3-h][1,4]benzoxazin-2-one

pyrido[2,3-h][1,4]benzoxazin-2-one (PubChem CID 141055478) has the molecular formula C11H6N2O2 and a molecular weight of 198.18 g/mol. Its IUPAC name is pyrido[2,3-h][1,4]benzoxazin-2-one.

Molecular Properties

Compound Namepyrido[2,3-h][1,4]benzoxazin-2-one
PubChem CID141055478
Molecular FormulaC11H6N2O2
Molecular Weight198.18 g/mol
Exact Mass198.04
IUPAC Namepyrido[2,3-h][1,4]benzoxazin-2-one
SMILESO=c1cnc2ccc3ncccc3c2o1
InChIInChI=1S/C11H6N2O2/c14-10-6-13-9-4-3-8-7(11(9)15-10)2-1-5-12-8/h1-6H
InChIKeyGWEMNTSGPKINGA-UHFFFAOYSA-N
XLogP1.74
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pyrano[3,2-c]isoquinolin-2-one
CID 44521863
4-methylpyrido[2,3-h][1,3]benzoxazin-2-one
CID 142239551
6-oxa-11-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-one
CID 59457780
2-oxo-1,4-benzoxazine-8-carboxamide
CID 140987274
2-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride
CID 140987273
1,4-dihydropyrido[3,2-f]quinoxaline-2,3-dione
CID 10375912
1,4-benzoxazin-2-one;hydrochloride
CID 154928875
1,7-phenanthroline;vanadium
CID 174318955
5-pyrimidin-5-yl-1,6-naphthyridine
CID 163315592
2-chloropyrido[3,2-f]quinoxaline
CID 129033345
2H-pyrido[2,3-h]cinnolin-3-one
CID 70280664
3-(trifluoromethyl)pyrano[3,2-f]quinolin-1-one
CID 134855870

Frequently Asked Questions

What is the IUPAC name of pyrido[2,3-h][1,4]benzoxazin-2-one?
The IUPAC name of pyrido[2,3-h][1,4]benzoxazin-2-one (CID 141055478) is pyrido[2,3-h][1,4]benzoxazin-2-one.
What is the SMILES notation for pyrido[2,3-h][1,4]benzoxazin-2-one?
The canonical SMILES for pyrido[2,3-h][1,4]benzoxazin-2-one is O=c1cnc2ccc3ncccc3c2o1.
What is the InChIKey of pyrido[2,3-h][1,4]benzoxazin-2-one?
The InChIKey is GWEMNTSGPKINGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O2/c14-10-6-13-9-4-3-8-7(11(9)15-10)2-1-5-12-8/h1-6H.
What are the key properties of pyrido[2,3-h][1,4]benzoxazin-2-one?
pyrido[2,3-h][1,4]benzoxazin-2-one has a molecular weight of 198.18 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[2,3-h][1,4]benzoxazin-2-one is sourced from PubChem (CID 141055478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).