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

C16H10Cl2F3N3O — CID 147854736

IUPAC6-chloro-1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)quinazolin-2-one
SMILESCNc1nc(=O)n(-c2ccccc2Cl)c2cc(C(F)(F)F)c(Cl)cc12
InChIInChI=1S/C16H10Cl2F3N3O/c1-22-14-8-6-11(18)9(16(19,20)21)7-13(8)24(15(25)23-14)12-5-3-2-4-10(12)17/h2-7H,1H3,(H,22,23,25)
InChIKeyHVMZLZIPGPEMAP-UHFFFAOYSA-N
MW388.18 g/mol
LogP4.75
Rot. Bonds2

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

6-chloro-1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)quinazolin-2-one (PubChem CID 147854736) has the molecular formula C16H10Cl2F3N3O and a molecular weight of 388.18 g/mol. Its IUPAC name is 6-chloro-1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)quinazolin-2-one.

Molecular Properties

Compound Name6-chloro-1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)quinazolin-2-one
PubChem CID147854736
Molecular FormulaC16H10Cl2F3N3O
Molecular Weight388.18 g/mol
Exact Mass387.02
IUPAC Name6-chloro-1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)quinazolin-2-one
SMILESCNc1nc(=O)n(-c2ccccc2Cl)c2cc(C(F)(F)F)c(Cl)cc12
InChIInChI=1S/C16H10Cl2F3N3O/c1-22-14-8-6-11(18)9(16(19,20)21)7-13(8)24(15(25)23-14)12-5-3-2-4-10(12)17/h2-7H,1H3,(H,22,23,25)
InChIKeyHVMZLZIPGPEMAP-UHFFFAOYSA-N
XLogP4.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.18
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)quinazolin-2-one?
The IUPAC name of 6-chloro-1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)quinazolin-2-one (CID 147854736) is 6-chloro-1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)quinazolin-2-one.
What is the SMILES notation for 6-chloro-1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)quinazolin-2-one?
The canonical SMILES for 6-chloro-1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)quinazolin-2-one is CNc1nc(=O)n(-c2ccccc2Cl)c2cc(C(F)(F)F)c(Cl)cc12.
What is the InChIKey of 6-chloro-1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)quinazolin-2-one?
The InChIKey is HVMZLZIPGPEMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2F3N3O/c1-22-14-8-6-11(18)9(16(19,20)21)7-13(8)24(15(25)23-14)12-5-3-2-4-10(12)17/h2-7H,1H3,(H,22,23,25).
What are the key properties of 6-chloro-1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)quinazolin-2-one?
6-chloro-1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)quinazolin-2-one has a molecular weight of 388.18 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)quinazolin-2-one is sourced from PubChem (CID 147854736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).