7-chloro-3-[[4-(trifluoromethoxy)phenyl]methyl]quinazolin-4-one

C16H10ClF3N2O2 — CID 34093322

IUPAC7-chloro-3-[[4-(trifluoromethoxy)phenyl]methyl]quinazolin-4-one
SMILESO=c1c2ccc(Cl)cc2ncn1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H10ClF3N2O2/c17-11-3-6-13-14(7-11)21-9-22(15(13)23)8-10-1-4-12(5-2-10)24-16(18,19)20/h1-7,9H,8H2
InChIKeyKWXQZMGAAMCCHD-UHFFFAOYSA-N
MW354.72 g/mol
LogP4.00
Rot. Bonds3

About 7-chloro-3-[[4-(trifluoromethoxy)phenyl]methyl]quinazolin-4-one

7-chloro-3-[[4-(trifluoromethoxy)phenyl]methyl]quinazolin-4-one (PubChem CID 34093322) has the molecular formula C16H10ClF3N2O2 and a molecular weight of 354.72 g/mol. Its IUPAC name is 7-chloro-3-[[4-(trifluoromethoxy)phenyl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-3-[[4-(trifluoromethoxy)phenyl]methyl]quinazolin-4-one
PubChem CID34093322
Molecular FormulaC16H10ClF3N2O2
Molecular Weight354.72 g/mol
Exact Mass354.04
IUPAC Name7-chloro-3-[[4-(trifluoromethoxy)phenyl]methyl]quinazolin-4-one
SMILESO=c1c2ccc(Cl)cc2ncn1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H10ClF3N2O2/c17-11-3-6-13-14(7-11)21-9-22(15(13)23)8-10-1-4-12(5-2-10)24-16(18,19)20/h1-7,9H,8H2
InChIKeyKWXQZMGAAMCCHD-UHFFFAOYSA-N
XLogP4.00
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.72
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[[4-(trifluoromethoxy)phenyl]methyl]quinazolin-4-one?
The IUPAC name of 7-chloro-3-[[4-(trifluoromethoxy)phenyl]methyl]quinazolin-4-one (CID 34093322) is 7-chloro-3-[[4-(trifluoromethoxy)phenyl]methyl]quinazolin-4-one.
What is the SMILES notation for 7-chloro-3-[[4-(trifluoromethoxy)phenyl]methyl]quinazolin-4-one?
The canonical SMILES for 7-chloro-3-[[4-(trifluoromethoxy)phenyl]methyl]quinazolin-4-one is O=c1c2ccc(Cl)cc2ncn1Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 7-chloro-3-[[4-(trifluoromethoxy)phenyl]methyl]quinazolin-4-one?
The InChIKey is KWXQZMGAAMCCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O2/c17-11-3-6-13-14(7-11)21-9-22(15(13)23)8-10-1-4-12(5-2-10)24-16(18,19)20/h1-7,9H,8H2.
What are the key properties of 7-chloro-3-[[4-(trifluoromethoxy)phenyl]methyl]quinazolin-4-one?
7-chloro-3-[[4-(trifluoromethoxy)phenyl]methyl]quinazolin-4-one has a molecular weight of 354.72 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[[4-(trifluoromethoxy)phenyl]methyl]quinazolin-4-one is sourced from PubChem (CID 34093322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).