2-(chloromethyl)-8-methylidenequinazolin-4-one

C10H7ClN2O — CID 78371905

IUPAC2-(chloromethyl)-8-methylidenequinazolin-4-one
SMILESC=c1cccc2c1=NC(CCl)=NC2=O
InChIInChI=1S/C10H7ClN2O/c1-6-3-2-4-7-9(6)12-8(5-11)13-10(7)14/h2-4H,1,5H2
InChIKeyCLSCRCUIYUFFON-UHFFFAOYSA-N
MW206.63 g/mol
LogP0.51
Rot. Bonds1

About 2-(chloromethyl)-8-methylidenequinazolin-4-one

2-(chloromethyl)-8-methylidenequinazolin-4-one (PubChem CID 78371905) has the molecular formula C10H7ClN2O and a molecular weight of 206.63 g/mol. Its IUPAC name is 2-(chloromethyl)-8-methylidenequinazolin-4-one.

Molecular Properties

Compound Name2-(chloromethyl)-8-methylidenequinazolin-4-one
PubChem CID78371905
Molecular FormulaC10H7ClN2O
Molecular Weight206.63 g/mol
Exact Mass206.02
IUPAC Name2-(chloromethyl)-8-methylidenequinazolin-4-one
SMILESC=c1cccc2c1=NC(CCl)=NC2=O
InChIInChI=1S/C10H7ClN2O/c1-6-3-2-4-7-9(6)12-8(5-11)13-10(7)14/h2-4H,1,5H2
InChIKeyCLSCRCUIYUFFON-UHFFFAOYSA-N
XLogP0.51
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(chloromethyl)-8-methylidenequinazolin-4-one 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

5,8-difluoro-2-methyl-8H-quinazolin-4-one
CID 73414900
6-chloro-2-(trifluoromethyl)-6H-quinazolin-4-one
CID 73741546
8-fluoro-8H-quinazolin-4-one
CID 76845720
6-chloro-8H-quinazolin-4-one
CID 91196558
6-chloro-6H-quinazolin-4-one
CID 71303944
8-Methylidenequinazolin-4-one
CID 71304104
2,6-dichloro-6H-quinazolin-4-one
CID 72728722
7-Chloro-2-(chloromethyl)-6-methylidenequinazolin-4-one
CID 73102954
2-Chloro-6-methylidenequinazolin-4-one
CID 73185632
2-(chloromethyl)-4aH-quinazolin-4-one
CID 73242965
8-bromo-2-chloro-8H-quinazolin-4-one
CID 73886761
8-chloro-2-methyl-8H-quinazolin-4-one
CID 74502710

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-8-methylidenequinazolin-4-one?
The IUPAC name of 2-(chloromethyl)-8-methylidenequinazolin-4-one (CID 78371905) is 2-(chloromethyl)-8-methylidenequinazolin-4-one.
What is the SMILES notation for 2-(chloromethyl)-8-methylidenequinazolin-4-one?
The canonical SMILES for 2-(chloromethyl)-8-methylidenequinazolin-4-one is C=c1cccc2c1=NC(CCl)=NC2=O.
What is the InChIKey of 2-(chloromethyl)-8-methylidenequinazolin-4-one?
The InChIKey is CLSCRCUIYUFFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O/c1-6-3-2-4-7-9(6)12-8(5-11)13-10(7)14/h2-4H,1,5H2.
What are the key properties of 2-(chloromethyl)-8-methylidenequinazolin-4-one?
2-(chloromethyl)-8-methylidenequinazolin-4-one has a molecular weight of 206.63 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-8-methylidenequinazolin-4-one is sourced from PubChem (CID 78371905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).