2-chloro-6-methylidenequinazolin-4-one

C9H5ClN2O — CID 73185632

IUPAC2-chloro-6-methylidenequinazolin-4-one
SMILESC=c1ccc2c(c1)C(=O)N=C(Cl)N=2
InChIInChI=1S/C9H5ClN2O/c1-5-2-3-7-6(4-5)8(13)12-9(10)11-7/h2-4H,1H2
InChIKeyYYQDDVZJDUHOGX-UHFFFAOYSA-N
MW192.60 g/mol
LogP0.47
Rot. Bonds

About 2-chloro-6-methylidenequinazolin-4-one

2-chloro-6-methylidenequinazolin-4-one (PubChem CID 73185632) has the molecular formula C9H5ClN2O and a molecular weight of 192.60 g/mol. Its IUPAC name is 2-chloro-6-methylidenequinazolin-4-one.

Molecular Properties

Compound Name2-chloro-6-methylidenequinazolin-4-one
PubChem CID73185632
Molecular FormulaC9H5ClN2O
Molecular Weight192.60 g/mol
Exact Mass192.01
IUPAC Name2-chloro-6-methylidenequinazolin-4-one
SMILESC=c1ccc2c(c1)C(=O)N=C(Cl)N=2
InChIInChI=1S/C9H5ClN2O/c1-5-2-3-7-6(4-5)8(13)12-9(10)11-7/h2-4H,1H2
InChIKeyYYQDDVZJDUHOGX-UHFFFAOYSA-N
XLogP0.47
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.60
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

Oxoazacarbazole
CID 17964968
Pyrrolo[2,3-b]quinolone
CID 19975663
Cyclopenta[c]quinolin-4-one
CID 20502643
7-fluoro-6H-quinazolin-4-one
CID 90958016
Azepino[2,3-b]quinolone
CID 129789510
2-chloro-6-fluoro-6H-quinazolin-4-one
CID 71302510
2-chloro-7-fluoro-4aH-quinazolin-4-one
CID 71302517
6-fluoro-6H-quinazolin-4-one
CID 71303964
2-chloro-6-fluoro-4aH-quinazolin-4-one
CID 71650346
6-chloro-2-(trifluoromethyl)-6H-quinazolin-4-one
CID 73741546
6-fluoro-2-methyl-6H-quinazolin-4-one
CID 75210775
8-fluoro-8H-quinazolin-4-one
CID 76845720

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methylidenequinazolin-4-one?
The IUPAC name of 2-chloro-6-methylidenequinazolin-4-one (CID 73185632) is 2-chloro-6-methylidenequinazolin-4-one.
What is the SMILES notation for 2-chloro-6-methylidenequinazolin-4-one?
The canonical SMILES for 2-chloro-6-methylidenequinazolin-4-one is C=c1ccc2c(c1)C(=O)N=C(Cl)N=2.
What is the InChIKey of 2-chloro-6-methylidenequinazolin-4-one?
The InChIKey is YYQDDVZJDUHOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O/c1-5-2-3-7-6(4-5)8(13)12-9(10)11-7/h2-4H,1H2.
What are the key properties of 2-chloro-6-methylidenequinazolin-4-one?
2-chloro-6-methylidenequinazolin-4-one has a molecular weight of 192.60 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methylidenequinazolin-4-one is sourced from PubChem (CID 73185632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).