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

C12H8N2O2 — CID 142239551

IUPAC4-methylpyrido[2,3-h][1,3]benzoxazin-2-one
SMILESCc1nc(=O)oc2c1ccc1ncccc12
InChIInChI=1S/C12H8N2O2/c1-7-8-4-5-10-9(3-2-6-13-10)11(8)16-12(15)14-7/h2-6H,1H3
InChIKeyBWKUWNICDCUESO-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.04
Rot. Bonds

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

4-methylpyrido[2,3-h][1,3]benzoxazin-2-one (PubChem CID 142239551) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 4-methylpyrido[2,3-h][1,3]benzoxazin-2-one.

Molecular Properties

Compound Name4-methylpyrido[2,3-h][1,3]benzoxazin-2-one
PubChem CID142239551
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name4-methylpyrido[2,3-h][1,3]benzoxazin-2-one
SMILESCc1nc(=O)oc2c1ccc1ncccc12
InChIInChI=1S/C12H8N2O2/c1-7-8-4-5-10-9(3-2-6-13-10)11(8)16-12(15)14-7/h2-6H,1H3
InChIKeyBWKUWNICDCUESO-UHFFFAOYSA-N
XLogP2.04
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.04
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

pyrido[2,3-h][1,4]benzoxazin-2-one
CID 141055478
2,7-dimethyl-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole
CID 118531010
6-oxa-11-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-one
CID 59457780
1-(1,6-naphthyridin-5-yl)ethanone
CID 130047665
4-methylpyrido[3,4-e][1,3]oxazin-2-one
CID 142227791
2-(4-methoxyphenyl)pyrido[2,3-h][3,1]benzoxazin-4-one
CID 10870421
4-(6-methyl-2-pyridinyl)-3,7-phenanthroline
CID 168852634
benzo[f]quinoline;iodomethane
CID 21121996
4-methyl-N-(pyridin-2-ylmethyl)furo[3,2-c]quinoline-2-carboxamide
CID 3237079
13-oxa-22-azahexacyclo[15.8.0.02,11.03,8.012,16.018,23]pentacosa-1,3,5,7,9,11,14,16,18(23),19,21,24-dodecaene
CID 175465437
2-methyl-3,7-phenanthroline
CID 129060966
pyrido[2,3-i][1,2]benzodiazepin-3-one
CID 67724117

Frequently Asked Questions

What is the IUPAC name of 4-methylpyrido[2,3-h][1,3]benzoxazin-2-one?
The IUPAC name of 4-methylpyrido[2,3-h][1,3]benzoxazin-2-one (CID 142239551) is 4-methylpyrido[2,3-h][1,3]benzoxazin-2-one.
What is the SMILES notation for 4-methylpyrido[2,3-h][1,3]benzoxazin-2-one?
The canonical SMILES for 4-methylpyrido[2,3-h][1,3]benzoxazin-2-one is Cc1nc(=O)oc2c1ccc1ncccc12.
What is the InChIKey of 4-methylpyrido[2,3-h][1,3]benzoxazin-2-one?
The InChIKey is BWKUWNICDCUESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c1-7-8-4-5-10-9(3-2-6-13-10)11(8)16-12(15)14-7/h2-6H,1H3.
What are the key properties of 4-methylpyrido[2,3-h][1,3]benzoxazin-2-one?
4-methylpyrido[2,3-h][1,3]benzoxazin-2-one has a molecular weight of 212.21 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpyrido[2,3-h][1,3]benzoxazin-2-one is sourced from PubChem (CID 142239551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).