4-(5-chloro-2-fluorophenyl)-6,7,8-trimethyl-3H-quinazolin-2-one

C17H14ClFN2O — CID 118579668

IUPAC4-(5-chloro-2-fluorophenyl)-6,7,8-trimethyl-3H-quinazolin-2-one
SMILESCc1cc2c(-c3cc(Cl)ccc3F)[nH]c(=O)nc2c(C)c1C
InChIInChI=1S/C17H14ClFN2O/c1-8-6-13-15(10(3)9(8)2)20-17(22)21-16(13)12-7-11(18)4-5-14(12)19/h4-7H,1-3H3,(H,20,21,22)
InChIKeyPRJVQKISXAIZSW-UHFFFAOYSA-N
MW316.76 g/mol
LogP4.31
Rot. Bonds1

About 4-(5-chloro-2-fluorophenyl)-6,7,8-trimethyl-3H-quinazolin-2-one

4-(5-chloro-2-fluorophenyl)-6,7,8-trimethyl-3H-quinazolin-2-one (PubChem CID 118579668) has the molecular formula C17H14ClFN2O and a molecular weight of 316.76 g/mol. Its IUPAC name is 4-(5-chloro-2-fluorophenyl)-6,7,8-trimethyl-3H-quinazolin-2-one.

Molecular Properties

Compound Name4-(5-chloro-2-fluorophenyl)-6,7,8-trimethyl-3H-quinazolin-2-one
PubChem CID118579668
Molecular FormulaC17H14ClFN2O
Molecular Weight316.76 g/mol
Exact Mass316.08
IUPAC Name4-(5-chloro-2-fluorophenyl)-6,7,8-trimethyl-3H-quinazolin-2-one
SMILESCc1cc2c(-c3cc(Cl)ccc3F)[nH]c(=O)nc2c(C)c1C
InChIInChI=1S/C17H14ClFN2O/c1-8-6-13-15(10(3)9(8)2)20-17(22)21-16(13)12-7-11(18)4-5-14(12)19/h4-7H,1-3H3,(H,20,21,22)
InChIKeyPRJVQKISXAIZSW-UHFFFAOYSA-N
XLogP4.31
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.76
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-fluorophenyl)-6,7,8-trimethyl-3H-quinazolin-2-one?
The IUPAC name of 4-(5-chloro-2-fluorophenyl)-6,7,8-trimethyl-3H-quinazolin-2-one (CID 118579668) is 4-(5-chloro-2-fluorophenyl)-6,7,8-trimethyl-3H-quinazolin-2-one.
What is the SMILES notation for 4-(5-chloro-2-fluorophenyl)-6,7,8-trimethyl-3H-quinazolin-2-one?
The canonical SMILES for 4-(5-chloro-2-fluorophenyl)-6,7,8-trimethyl-3H-quinazolin-2-one is Cc1cc2c(-c3cc(Cl)ccc3F)[nH]c(=O)nc2c(C)c1C.
What is the InChIKey of 4-(5-chloro-2-fluorophenyl)-6,7,8-trimethyl-3H-quinazolin-2-one?
The InChIKey is PRJVQKISXAIZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O/c1-8-6-13-15(10(3)9(8)2)20-17(22)21-16(13)12-7-11(18)4-5-14(12)19/h4-7H,1-3H3,(H,20,21,22).
What are the key properties of 4-(5-chloro-2-fluorophenyl)-6,7,8-trimethyl-3H-quinazolin-2-one?
4-(5-chloro-2-fluorophenyl)-6,7,8-trimethyl-3H-quinazolin-2-one has a molecular weight of 316.76 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-fluorophenyl)-6,7,8-trimethyl-3H-quinazolin-2-one is sourced from PubChem (CID 118579668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).