4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one

C10H8N2O2 — CID 134114793

IUPAC4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one
SMILESC#CCN1C(=O)COc2cccnc21
InChIInChI=1S/C10H8N2O2/c1-2-6-12-9(13)7-14-8-4-3-5-11-10(8)12/h1,3-5H,6-7H2
InChIKeyUECCPIVMPWOOHF-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.44
Rot. Bonds1

About 4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one

4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 134114793) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one
PubChem CID134114793
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one
SMILESC#CCN1C(=O)COc2cccnc21
InChIInChI=1S/C10H8N2O2/c1-2-6-12-9(13)7-14-8-4-3-5-11-10(8)12/h1,3-5H,6-7H2
InChIKeyUECCPIVMPWOOHF-UHFFFAOYSA-N
XLogP0.44
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one
CID 83493674
4-[(4-fluorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 58102122
4-[(3-chlorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 11837222
4-[2-(benzenesulfonyl)ethyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 72874580
4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 72881646
4-[(4-methylthiadiazol-5-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 72860249
4-[(1-benzylimidazol-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 72890647
4-[(1-ethylpyrrolidin-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 72931501
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide
CID 72940940
4-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 72905097
4-[2-[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 97280311
7-(aminomethyl)-4-prop-2-ynyl-1,4-benzoxazin-3-one
CID 82338823

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one (CID 134114793) is 4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one is C#CCN1C(=O)COc2cccnc21.
What is the InChIKey of 4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is UECCPIVMPWOOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-2-6-12-9(13)7-14-8-4-3-5-11-10(8)12/h1,3-5H,6-7H2.
What are the key properties of 4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one?
4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 188.19 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 134114793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).