7-chloro-1-(2-chlorophenyl)-6-fluoro-4-(methylamino)quinazolin-2-one

C15H10Cl2FN3O — CID 159860748

IUPAC7-chloro-1-(2-chlorophenyl)-6-fluoro-4-(methylamino)quinazolin-2-one
SMILESCNc1nc(=O)n(-c2ccccc2Cl)c2cc(Cl)c(F)cc12
InChIInChI=1S/C15H10Cl2FN3O/c1-19-14-8-6-11(18)10(17)7-13(8)21(15(22)20-14)12-5-3-2-4-9(12)16/h2-7H,1H3,(H,19,20,22)
InChIKeyNRCMURKGQVBJJB-UHFFFAOYSA-N
MW338.17 g/mol
LogP3.87
Rot. Bonds2

About 7-chloro-1-(2-chlorophenyl)-6-fluoro-4-(methylamino)quinazolin-2-one

7-chloro-1-(2-chlorophenyl)-6-fluoro-4-(methylamino)quinazolin-2-one (PubChem CID 159860748) has the molecular formula C15H10Cl2FN3O and a molecular weight of 338.17 g/mol. Its IUPAC name is 7-chloro-1-(2-chlorophenyl)-6-fluoro-4-(methylamino)quinazolin-2-one.

Molecular Properties

Compound Name7-chloro-1-(2-chlorophenyl)-6-fluoro-4-(methylamino)quinazolin-2-one
PubChem CID159860748
Molecular FormulaC15H10Cl2FN3O
Molecular Weight338.17 g/mol
Exact Mass337.02
IUPAC Name7-chloro-1-(2-chlorophenyl)-6-fluoro-4-(methylamino)quinazolin-2-one
SMILESCNc1nc(=O)n(-c2ccccc2Cl)c2cc(Cl)c(F)cc12
InChIInChI=1S/C15H10Cl2FN3O/c1-19-14-8-6-11(18)10(17)7-13(8)21(15(22)20-14)12-5-3-2-4-9(12)16/h2-7H,1H3,(H,19,20,22)
InChIKeyNRCMURKGQVBJJB-UHFFFAOYSA-N
XLogP3.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(2-chlorophenyl)-6-fluoro-4-(methylamino)quinazolin-2-one?
The IUPAC name of 7-chloro-1-(2-chlorophenyl)-6-fluoro-4-(methylamino)quinazolin-2-one (CID 159860748) is 7-chloro-1-(2-chlorophenyl)-6-fluoro-4-(methylamino)quinazolin-2-one.
What is the SMILES notation for 7-chloro-1-(2-chlorophenyl)-6-fluoro-4-(methylamino)quinazolin-2-one?
The canonical SMILES for 7-chloro-1-(2-chlorophenyl)-6-fluoro-4-(methylamino)quinazolin-2-one is CNc1nc(=O)n(-c2ccccc2Cl)c2cc(Cl)c(F)cc12.
What is the InChIKey of 7-chloro-1-(2-chlorophenyl)-6-fluoro-4-(methylamino)quinazolin-2-one?
The InChIKey is NRCMURKGQVBJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FN3O/c1-19-14-8-6-11(18)10(17)7-13(8)21(15(22)20-14)12-5-3-2-4-9(12)16/h2-7H,1H3,(H,19,20,22).
What are the key properties of 7-chloro-1-(2-chlorophenyl)-6-fluoro-4-(methylamino)quinazolin-2-one?
7-chloro-1-(2-chlorophenyl)-6-fluoro-4-(methylamino)quinazolin-2-one has a molecular weight of 338.17 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(2-chlorophenyl)-6-fluoro-4-(methylamino)quinazolin-2-one is sourced from PubChem (CID 159860748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).