2-(6-hydroxy-4-oxo-3H-quinazolin-2-yl)acetonitrile

C10H7N3O2 — CID 137182260

IUPAC2-(6-hydroxy-4-oxo-3H-quinazolin-2-yl)acetonitrile
SMILESN#CCc1nc2ccc(O)cc2c(=O)[nH]1
InChIInChI=1S/C10H7N3O2/c11-4-3-9-12-8-2-1-6(14)5-7(8)10(15)13-9/h1-2,5,14H,3H2,(H,12,13,15)
InChIKeyVGXSNJUJVLNWIS-UHFFFAOYSA-N
MW201.18 g/mol
LogP0.69
Rot. Bonds1

About 2-(6-hydroxy-4-oxo-3H-quinazolin-2-yl)acetonitrile

2-(6-hydroxy-4-oxo-3H-quinazolin-2-yl)acetonitrile (PubChem CID 137182260) has the molecular formula C10H7N3O2 and a molecular weight of 201.18 g/mol. Its IUPAC name is 2-(6-hydroxy-4-oxo-3H-quinazolin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(6-hydroxy-4-oxo-3H-quinazolin-2-yl)acetonitrile
PubChem CID137182260
Molecular FormulaC10H7N3O2
Molecular Weight201.18 g/mol
Exact Mass201.05
IUPAC Name2-(6-hydroxy-4-oxo-3H-quinazolin-2-yl)acetonitrile
SMILESN#CCc1nc2ccc(O)cc2c(=O)[nH]1
InChIInChI=1S/C10H7N3O2/c11-4-3-9-12-8-2-1-6(14)5-7(8)10(15)13-9/h1-2,5,14H,3H2,(H,12,13,15)
InChIKeyVGXSNJUJVLNWIS-UHFFFAOYSA-N
XLogP0.69
TPSA89.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dihydroxyphenyl)-6-hydroxy-3H-quinazolin-4-one
CID 135999629
ethane;2-ethyl-4-oxo-3H-quinazoline-6-carbonitrile
CID 144970383
2-[(4-hydroxyphenyl)methyl]-6-propan-2-yl-3H-quinazolin-4-one
CID 135993647
2-(4-acetylphenyl)-6-hydroxy-3H-quinazolin-4-one
CID 135999605
(6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate
CID 135411171
2-(4-hydroxyphenyl)-6-(125I)iodo-3H-quinazolin-4-one
CID 135541903
6-fluoro-2-(2-methylpropyl)-3H-quinazolin-4-one
CID 137190135
2-(chloromethyl)-6-methyl-3H-quinazolin-4-one
CID 135715019
actinium;6-hydroxy-2-(3-methylphenyl)-3H-quinazolin-4-one
CID 135999600
(6-fluoro-4-oxo-3H-quinazolin-2-yl)methyl-(hydroxymethyl)phosphinic acid
CID 135653898
2-(chloromethyl)-6-nitro-3H-quinazolin-4-one
CID 135932529
2-(6-hydroxy-2-oxo-3H-quinazolin-4-yl)acetic acid
CID 105475154

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxy-4-oxo-3H-quinazolin-2-yl)acetonitrile?
The IUPAC name of 2-(6-hydroxy-4-oxo-3H-quinazolin-2-yl)acetonitrile (CID 137182260) is 2-(6-hydroxy-4-oxo-3H-quinazolin-2-yl)acetonitrile.
What is the SMILES notation for 2-(6-hydroxy-4-oxo-3H-quinazolin-2-yl)acetonitrile?
The canonical SMILES for 2-(6-hydroxy-4-oxo-3H-quinazolin-2-yl)acetonitrile is N#CCc1nc2ccc(O)cc2c(=O)[nH]1.
What is the InChIKey of 2-(6-hydroxy-4-oxo-3H-quinazolin-2-yl)acetonitrile?
The InChIKey is VGXSNJUJVLNWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O2/c11-4-3-9-12-8-2-1-6(14)5-7(8)10(15)13-9/h1-2,5,14H,3H2,(H,12,13,15).
What are the key properties of 2-(6-hydroxy-4-oxo-3H-quinazolin-2-yl)acetonitrile?
2-(6-hydroxy-4-oxo-3H-quinazolin-2-yl)acetonitrile has a molecular weight of 201.18 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxy-4-oxo-3H-quinazolin-2-yl)acetonitrile is sourced from PubChem (CID 137182260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).