2-(8-methylidene-4-oxoquinazolin-2-yl)acetonitrile

C11H7N3O — CID 78221860

IUPAC2-(8-methylidene-4-oxoquinazolin-2-yl)acetonitrile
SMILESC=c1cccc2c1=NC(CC#N)=NC2=O
InChIInChI=1S/C11H7N3O/c1-7-3-2-4-8-10(7)13-9(5-6-12)14-11(8)15/h2-4H,1,5H2
InChIKeyNHSWEVVLKYTFQS-UHFFFAOYSA-N
MW197.20 g/mol
LogP0.18
Rot. Bonds1

About 2-(8-methylidene-4-oxoquinazolin-2-yl)acetonitrile

2-(8-methylidene-4-oxoquinazolin-2-yl)acetonitrile (PubChem CID 78221860) has the molecular formula C11H7N3O and a molecular weight of 197.20 g/mol. Its IUPAC name is 2-(8-methylidene-4-oxoquinazolin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(8-methylidene-4-oxoquinazolin-2-yl)acetonitrile
PubChem CID78221860
Molecular FormulaC11H7N3O
Molecular Weight197.20 g/mol
Exact Mass197.06
IUPAC Name2-(8-methylidene-4-oxoquinazolin-2-yl)acetonitrile
SMILESC=c1cccc2c1=NC(CC#N)=NC2=O
InChIInChI=1S/C11H7N3O/c1-7-3-2-4-8-10(7)13-9(5-6-12)14-11(8)15/h2-4H,1,5H2
InChIKeyNHSWEVVLKYTFQS-UHFFFAOYSA-N
XLogP0.18
TPSA65.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-8H-quinazolin-4-one
CID 90734363
5,8-difluoro-2-methyl-8H-quinazolin-4-one
CID 73414900
8-fluoro-8H-quinazolin-4-one
CID 76845720
2,9-Diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione
CID 85436629
6-chloro-8H-quinazolin-4-one
CID 91196558
6-iodo-8H-quinazolin-4-one
CID 91423193
8-Methylidenequinazolin-4-one
CID 71304104
4-oxo-6H-quinazoline-6-carbonitrile
CID 72737857
2-Chloro-6-methylidenequinazolin-4-one
CID 73185632
6-Methylidenequinazolin-4-one
CID 73795355
8-(Oxomethylidene)quinazolin-4-one
CID 74659851
2-Methylquinazoline-4,8-dione
CID 75017403

Frequently Asked Questions

What is the IUPAC name of 2-(8-methylidene-4-oxoquinazolin-2-yl)acetonitrile?
The IUPAC name of 2-(8-methylidene-4-oxoquinazolin-2-yl)acetonitrile (CID 78221860) is 2-(8-methylidene-4-oxoquinazolin-2-yl)acetonitrile.
What is the SMILES notation for 2-(8-methylidene-4-oxoquinazolin-2-yl)acetonitrile?
The canonical SMILES for 2-(8-methylidene-4-oxoquinazolin-2-yl)acetonitrile is C=c1cccc2c1=NC(CC#N)=NC2=O.
What is the InChIKey of 2-(8-methylidene-4-oxoquinazolin-2-yl)acetonitrile?
The InChIKey is NHSWEVVLKYTFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O/c1-7-3-2-4-8-10(7)13-9(5-6-12)14-11(8)15/h2-4H,1,5H2.
What are the key properties of 2-(8-methylidene-4-oxoquinazolin-2-yl)acetonitrile?
2-(8-methylidene-4-oxoquinazolin-2-yl)acetonitrile has a molecular weight of 197.20 g/mol, XLogP of 0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methylidene-4-oxoquinazolin-2-yl)acetonitrile is sourced from PubChem (CID 78221860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).