7-chloro-2-(4-fluorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one

C17H16ClFN2O — CID 60525651

IUPAC7-chloro-2-(4-fluorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccc(Cl)cc2NC1c1ccc(F)cc1
InChIInChI=1S/C17H16ClFN2O/c1-2-9-21-16(11-3-6-13(19)7-4-11)20-15-10-12(18)5-8-14(15)17(21)22/h3-8,10,16,20H,2,9H2,1H3
InChIKeyYFFCZFUDJQMLKU-UHFFFAOYSA-N
MW318.78 g/mol
LogP4.46
Rot. Bonds3

About 7-chloro-2-(4-fluorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one

7-chloro-2-(4-fluorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one (PubChem CID 60525651) has the molecular formula C17H16ClFN2O and a molecular weight of 318.78 g/mol. Its IUPAC name is 7-chloro-2-(4-fluorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-(4-fluorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one
PubChem CID60525651
Molecular FormulaC17H16ClFN2O
Molecular Weight318.78 g/mol
Exact Mass318.09
IUPAC Name7-chloro-2-(4-fluorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccc(Cl)cc2NC1c1ccc(F)cc1
InChIInChI=1S/C17H16ClFN2O/c1-2-9-21-16(11-3-6-13(19)7-4-11)20-15-10-12(18)5-8-14(15)17(21)22/h3-8,10,16,20H,2,9H2,1H3
InChIKeyYFFCZFUDJQMLKU-UHFFFAOYSA-N
XLogP4.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4-fluorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 7-chloro-2-(4-fluorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one (CID 60525651) is 7-chloro-2-(4-fluorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 7-chloro-2-(4-fluorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 7-chloro-2-(4-fluorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one is CCCN1C(=O)c2ccc(Cl)cc2NC1c1ccc(F)cc1.
What is the InChIKey of 7-chloro-2-(4-fluorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
The InChIKey is YFFCZFUDJQMLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O/c1-2-9-21-16(11-3-6-13(19)7-4-11)20-15-10-12(18)5-8-14(15)17(21)22/h3-8,10,16,20H,2,9H2,1H3.
What are the key properties of 7-chloro-2-(4-fluorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
7-chloro-2-(4-fluorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one has a molecular weight of 318.78 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4-fluorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 60525651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).