2-(4-chloroanilino)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one

C20H15ClFN3O — CID 3581185

IUPAC2-(4-chloroanilino)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(c2ccc(F)cc2)Cc2nc(Nc3ccc(Cl)cc3)ncc21
InChIInChI=1S/C20H15ClFN3O/c21-14-3-7-16(8-4-14)24-20-23-11-17-18(25-20)9-13(10-19(17)26)12-1-5-15(22)6-2-12/h1-8,11,13H,9-10H2,(H,23,24,25)
InChIKeyXRCUQYGRJBWQNA-UHFFFAOYSA-N
MW367.81 g/mol
LogP4.93
Rot. Bonds3

About 2-(4-chloroanilino)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one

2-(4-chloroanilino)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 3581185) has the molecular formula C20H15ClFN3O and a molecular weight of 367.81 g/mol. Its IUPAC name is 2-(4-chloroanilino)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(4-chloroanilino)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID3581185
Molecular FormulaC20H15ClFN3O
Molecular Weight367.81 g/mol
Exact Mass367.09
IUPAC Name2-(4-chloroanilino)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(c2ccc(F)cc2)Cc2nc(Nc3ccc(Cl)cc3)ncc21
InChIInChI=1S/C20H15ClFN3O/c21-14-3-7-16(8-4-14)24-20-23-11-17-18(25-20)9-13(10-19(17)26)12-1-5-15(22)6-2-12/h1-8,11,13H,9-10H2,(H,23,24,25)
InChIKeyXRCUQYGRJBWQNA-UHFFFAOYSA-N
XLogP4.93
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(4-chloroanilino)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one (CID 3581185) is 2-(4-chloroanilino)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(4-chloroanilino)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(4-chloroanilino)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one is O=C1CC(c2ccc(F)cc2)Cc2nc(Nc3ccc(Cl)cc3)ncc21.
What is the InChIKey of 2-(4-chloroanilino)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is XRCUQYGRJBWQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O/c21-14-3-7-16(8-4-14)24-20-23-11-17-18(25-20)9-13(10-19(17)26)12-1-5-15(22)6-2-12/h1-8,11,13H,9-10H2,(H,23,24,25).
What are the key properties of 2-(4-chloroanilino)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one?
2-(4-chloroanilino)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 367.81 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 3581185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).