2-[(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)oxy]benzonitrile

C14H8N4O2 — CID 167979770

IUPAC2-[(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)oxy]benzonitrile
SMILESN#Cc1ccccc1Oc1ccc2nc[nH]c(=O)c2n1
InChIInChI=1S/C14H8N4O2/c15-7-9-3-1-2-4-11(9)20-12-6-5-10-13(18-12)14(19)17-8-16-10/h1-6,8H,(H,16,17,19)
InChIKeyWPSHOCYSSAJRJS-UHFFFAOYSA-N
MW264.24 g/mol
LogP1.98
Rot. Bonds2

About 2-[(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)oxy]benzonitrile

2-[(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)oxy]benzonitrile (PubChem CID 167979770) has the molecular formula C14H8N4O2 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2-[(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)oxy]benzonitrile.

Molecular Properties

Compound Name2-[(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)oxy]benzonitrile
PubChem CID167979770
Molecular FormulaC14H8N4O2
Molecular Weight264.24 g/mol
Exact Mass264.06
IUPAC Name2-[(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)oxy]benzonitrile
SMILESN#Cc1ccccc1Oc1ccc2nc[nH]c(=O)c2n1
InChIInChI=1S/C14H8N4O2/c15-7-9-3-1-2-4-11(9)20-12-6-5-10-13(18-12)14(19)17-8-16-10/h1-6,8H,(H,16,17,19)
InChIKeyWPSHOCYSSAJRJS-UHFFFAOYSA-N
XLogP1.98
TPSA91.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)oxy]benzonitrile 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

2-(4-aminopyrido[3,2-d]pyrimidin-6-yl)oxybenzonitrile
CID 90054807
2-(2-cyanophenoxy)benzonitrile
CID 13435570
2-[(6-hydrazinyl-2-pyridinyl)oxy]benzonitrile
CID 80918520
6-bromo-3H-pyrido[3,2-d]pyrimidin-4-one
CID 137032185
6-fluoro-3H-pyrido[3,2-d]pyrimidin-4-one
CID 135427088
2-[(6-amino-4-oxo-3H-quinazolin-2-yl)oxy]benzonitrile
CID 136809460
6-(2-cyanophenoxy)pyridine-3-sulfonamide
CID 112683212
[4-(2-cyanophenoxy)pyrimidin-2-yl]methyl methyl sulfate
CID 140768672
2-(2,6-diaminophenoxy)benzonitrile
CID 163217042
(2-cyanophenyl) hypoiodite
CID 154315791
tert-butyl 6-(2-cyanophenoxy)pyridine-3-carboxylate
CID 166368688
2-(6-amino-2-methylpyrimidin-4-yl)oxybenzonitrile
CID 80862632

Frequently Asked Questions

What is the IUPAC name of 2-[(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)oxy]benzonitrile?
The IUPAC name of 2-[(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)oxy]benzonitrile (CID 167979770) is 2-[(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)oxy]benzonitrile.
What is the SMILES notation for 2-[(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)oxy]benzonitrile?
The canonical SMILES for 2-[(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)oxy]benzonitrile is N#Cc1ccccc1Oc1ccc2nc[nH]c(=O)c2n1.
What is the InChIKey of 2-[(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)oxy]benzonitrile?
The InChIKey is WPSHOCYSSAJRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4O2/c15-7-9-3-1-2-4-11(9)20-12-6-5-10-13(18-12)14(19)17-8-16-10/h1-6,8H,(H,16,17,19).
What are the key properties of 2-[(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)oxy]benzonitrile?
2-[(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)oxy]benzonitrile has a molecular weight of 264.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)oxy]benzonitrile is sourced from PubChem (CID 167979770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).