2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1H-quinolin-4-one

C16H13N3O2 — CID 58346308

IUPAC2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1H-quinolin-4-one
SMILESO=c1cc(N2CCOc3cccnc32)[nH]c2ccccc12
InChIInChI=1S/C16H13N3O2/c20-13-10-15(18-12-5-2-1-4-11(12)13)19-8-9-21-14-6-3-7-17-16(14)19/h1-7,10H,8-9H2,(H,18,20)
InChIKeyGWMSMTJAAVOWNY-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.45
Rot. Bonds1

About 2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1H-quinolin-4-one

2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1H-quinolin-4-one (PubChem CID 58346308) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1H-quinolin-4-one
PubChem CID58346308
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1H-quinolin-4-one
SMILESO=c1cc(N2CCOc3cccnc32)[nH]c2ccccc12
InChIInChI=1S/C16H13N3O2/c20-13-10-15(18-12-5-2-1-4-11(12)13)19-8-9-21-14-6-3-7-17-16(14)19/h1-7,10H,8-9H2,(H,18,20)
InChIKeyGWMSMTJAAVOWNY-UHFFFAOYSA-N
XLogP2.45
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1H-quinolin-4-one?
The IUPAC name of 2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1H-quinolin-4-one (CID 58346308) is 2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1H-quinolin-4-one.
What is the SMILES notation for 2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1H-quinolin-4-one?
The canonical SMILES for 2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1H-quinolin-4-one is O=c1cc(N2CCOc3cccnc32)[nH]c2ccccc12.
What is the InChIKey of 2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1H-quinolin-4-one?
The InChIKey is GWMSMTJAAVOWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-13-10-15(18-12-5-2-1-4-11(12)13)19-8-9-21-14-6-3-7-17-16(14)19/h1-7,10H,8-9H2,(H,18,20).
What are the key properties of 2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1H-quinolin-4-one?
2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1H-quinolin-4-one has a molecular weight of 279.30 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1H-quinolin-4-one is sourced from PubChem (CID 58346308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).