6,7-difluoro-1-[2-(4-fluorophenyl)ethyl]-3,4-dihydroquinazolin-2-one

C16H13F3N2O — CID 134944121

IUPAC6,7-difluoro-1-[2-(4-fluorophenyl)ethyl]-3,4-dihydroquinazolin-2-one
SMILESO=C1NCc2cc(F)c(F)cc2N1CCc1ccc(F)cc1
InChIInChI=1S/C16H13F3N2O/c17-12-3-1-10(2-4-12)5-6-21-15-8-14(19)13(18)7-11(15)9-20-16(21)22/h1-4,7-8H,5-6,9H2,(H,20,22)
InChIKeyGWLQQUFQNKNEIP-UHFFFAOYSA-N
MW306.29 g/mol
LogP3.38
Rot. Bonds3

About 6,7-difluoro-1-[2-(4-fluorophenyl)ethyl]-3,4-dihydroquinazolin-2-one

6,7-difluoro-1-[2-(4-fluorophenyl)ethyl]-3,4-dihydroquinazolin-2-one (PubChem CID 134944121) has the molecular formula C16H13F3N2O and a molecular weight of 306.29 g/mol. Its IUPAC name is 6,7-difluoro-1-[2-(4-fluorophenyl)ethyl]-3,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6,7-difluoro-1-[2-(4-fluorophenyl)ethyl]-3,4-dihydroquinazolin-2-one
PubChem CID134944121
Molecular FormulaC16H13F3N2O
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name6,7-difluoro-1-[2-(4-fluorophenyl)ethyl]-3,4-dihydroquinazolin-2-one
SMILESO=C1NCc2cc(F)c(F)cc2N1CCc1ccc(F)cc1
InChIInChI=1S/C16H13F3N2O/c17-12-3-1-10(2-4-12)5-6-21-15-8-14(19)13(18)7-11(15)9-20-16(21)22/h1-4,7-8H,5-6,9H2,(H,20,22)
InChIKeyGWLQQUFQNKNEIP-UHFFFAOYSA-N
XLogP3.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1-[2-(4-fluorophenyl)ethyl]-3,4-dihydroquinazolin-2-one?
The IUPAC name of 6,7-difluoro-1-[2-(4-fluorophenyl)ethyl]-3,4-dihydroquinazolin-2-one (CID 134944121) is 6,7-difluoro-1-[2-(4-fluorophenyl)ethyl]-3,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6,7-difluoro-1-[2-(4-fluorophenyl)ethyl]-3,4-dihydroquinazolin-2-one?
The canonical SMILES for 6,7-difluoro-1-[2-(4-fluorophenyl)ethyl]-3,4-dihydroquinazolin-2-one is O=C1NCc2cc(F)c(F)cc2N1CCc1ccc(F)cc1.
What is the InChIKey of 6,7-difluoro-1-[2-(4-fluorophenyl)ethyl]-3,4-dihydroquinazolin-2-one?
The InChIKey is GWLQQUFQNKNEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O/c17-12-3-1-10(2-4-12)5-6-21-15-8-14(19)13(18)7-11(15)9-20-16(21)22/h1-4,7-8H,5-6,9H2,(H,20,22).
What are the key properties of 6,7-difluoro-1-[2-(4-fluorophenyl)ethyl]-3,4-dihydroquinazolin-2-one?
6,7-difluoro-1-[2-(4-fluorophenyl)ethyl]-3,4-dihydroquinazolin-2-one has a molecular weight of 306.29 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1-[2-(4-fluorophenyl)ethyl]-3,4-dihydroquinazolin-2-one is sourced from PubChem (CID 134944121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).