1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one

C7H6N2O2 — CID 15925991

IUPAC1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one
SMILESO=C1Nc2cnccc2CO1
InChIInChI=1S/C7H6N2O2/c10-7-9-6-3-8-2-1-5(6)4-11-7/h1-3H,4H2,(H,9,10)
InChIKeyPNCXVKPTMGAGTI-UHFFFAOYSA-N
MW150.14 g/mol
LogP1.14
Rot. Bonds

About 1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one

1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one (PubChem CID 15925991) has the molecular formula C7H6N2O2 and a molecular weight of 150.14 g/mol. Its IUPAC name is 1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one.

Molecular Properties

Compound Name1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one
PubChem CID15925991
Molecular FormulaC7H6N2O2
Molecular Weight150.14 g/mol
Exact Mass150.04
IUPAC Name1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one
SMILESO=C1Nc2cnccc2CO1
InChIInChI=1S/C7H6N2O2/c10-7-9-6-3-8-2-1-5(6)4-11-7/h1-3H,4H2,(H,9,10)
InChIKeyPNCXVKPTMGAGTI-UHFFFAOYSA-N
XLogP1.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one?
The IUPAC name of 1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one (CID 15925991) is 1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one.
What is the SMILES notation for 1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one?
The canonical SMILES for 1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one is O=C1Nc2cnccc2CO1.
What is the InChIKey of 1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one?
The InChIKey is PNCXVKPTMGAGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2/c10-7-9-6-3-8-2-1-5(6)4-11-7/h1-3H,4H2,(H,9,10).
What are the key properties of 1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one?
1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one has a molecular weight of 150.14 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one is sourced from PubChem (CID 15925991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).