7-chloro-2-(chloromethyl)-6-methylidenequinazolin-4-one

C10H6Cl2N2O — CID 73102954

IUPAC7-chloro-2-(chloromethyl)-6-methylidenequinazolin-4-one
SMILESC=c1cc2c(cc1Cl)=NC(CCl)=NC2=O
InChIInChI=1S/C10H6Cl2N2O/c1-5-2-6-8(3-7(5)12)13-9(4-11)14-10(6)15/h2-3H,1,4H2
InChIKeyVYBDBQLHDBATHN-UHFFFAOYSA-N
MW241.08 g/mol
LogP1.16
Rot. Bonds1

About 7-chloro-2-(chloromethyl)-6-methylidenequinazolin-4-one

7-chloro-2-(chloromethyl)-6-methylidenequinazolin-4-one (PubChem CID 73102954) has the molecular formula C10H6Cl2N2O and a molecular weight of 241.08 g/mol. Its IUPAC name is 7-chloro-2-(chloromethyl)-6-methylidenequinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-(chloromethyl)-6-methylidenequinazolin-4-one
PubChem CID73102954
Molecular FormulaC10H6Cl2N2O
Molecular Weight241.08 g/mol
Exact Mass239.99
IUPAC Name7-chloro-2-(chloromethyl)-6-methylidenequinazolin-4-one
SMILESC=c1cc2c(cc1Cl)=NC(CCl)=NC2=O
InChIInChI=1S/C10H6Cl2N2O/c1-5-2-6-8(3-7(5)12)13-9(4-11)14-10(6)15/h2-3H,1,4H2
InChIKeyVYBDBQLHDBATHN-UHFFFAOYSA-N
XLogP1.16
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-(trifluoromethyl)-6H-quinazolin-4-one
CID 73741546
6-chloro-8H-quinazolin-4-one
CID 91196558
7-chloro-6H-quinazolin-4-one
CID 91371041
6-chloro-6H-quinazolin-4-one
CID 71303944
7-chloro-2-(chloromethyl)-6-methyl-4aH-quinazolin-4-one
CID 71651030
2,6-dichloro-6H-quinazolin-4-one
CID 72728722
2-Chloro-6-methylidenequinazolin-4-one
CID 73185632
2-(chloromethyl)-4aH-quinazolin-4-one
CID 73242965
8-chloro-2-methyl-8H-quinazolin-4-one
CID 74502710
6,8-dichloro-8H-quinazolin-4-one
CID 76844818
6-chloro-2-methyl-6H-quinazolin-4-one
CID 76844836
6-bromo-2-(chloromethyl)-6H-quinazolin-4-one
CID 78258819

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(chloromethyl)-6-methylidenequinazolin-4-one?
The IUPAC name of 7-chloro-2-(chloromethyl)-6-methylidenequinazolin-4-one (CID 73102954) is 7-chloro-2-(chloromethyl)-6-methylidenequinazolin-4-one.
What is the SMILES notation for 7-chloro-2-(chloromethyl)-6-methylidenequinazolin-4-one?
The canonical SMILES for 7-chloro-2-(chloromethyl)-6-methylidenequinazolin-4-one is C=c1cc2c(cc1Cl)=NC(CCl)=NC2=O.
What is the InChIKey of 7-chloro-2-(chloromethyl)-6-methylidenequinazolin-4-one?
The InChIKey is VYBDBQLHDBATHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O/c1-5-2-6-8(3-7(5)12)13-9(4-11)14-10(6)15/h2-3H,1,4H2.
What are the key properties of 7-chloro-2-(chloromethyl)-6-methylidenequinazolin-4-one?
7-chloro-2-(chloromethyl)-6-methylidenequinazolin-4-one has a molecular weight of 241.08 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(chloromethyl)-6-methylidenequinazolin-4-one is sourced from PubChem (CID 73102954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).