2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-quinazolin-4-one

C19H11F3N2O2 — CID 135627897

IUPAC2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(-c3cccc(C(F)(F)F)c3)o2)nc2ccccc12
InChIInChI=1S/C19H11F3N2O2/c20-19(21,22)12-5-3-4-11(10-12)15-8-9-16(26-15)17-23-14-7-2-1-6-13(14)18(25)24-17/h1-10H,(H,23,24,25)
InChIKeyDJXFUBDNUKDFTM-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.87
Rot. Bonds2

About 2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-quinazolin-4-one

2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-quinazolin-4-one (PubChem CID 135627897) has the molecular formula C19H11F3N2O2 and a molecular weight of 356.30 g/mol. Its IUPAC name is 2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-quinazolin-4-one
PubChem CID135627897
Molecular FormulaC19H11F3N2O2
Molecular Weight356.30 g/mol
Exact Mass356.08
IUPAC Name2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(-c3cccc(C(F)(F)F)c3)o2)nc2ccccc12
InChIInChI=1S/C19H11F3N2O2/c20-19(21,22)12-5-3-4-11(10-12)15-8-9-16(26-15)17-23-14-7-2-1-6-13(14)18(25)24-17/h1-10H,(H,23,24,25)
InChIKeyDJXFUBDNUKDFTM-UHFFFAOYSA-N
XLogP4.87
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-quinazolin-4-one (CID 135627897) is 2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-quinazolin-4-one is O=c1[nH]c(-c2ccc(-c3cccc(C(F)(F)F)c3)o2)nc2ccccc12.
What is the InChIKey of 2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-quinazolin-4-one?
The InChIKey is DJXFUBDNUKDFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N2O2/c20-19(21,22)12-5-3-4-11(10-12)15-8-9-16(26-15)17-23-14-7-2-1-6-13(14)18(25)24-17/h1-10H,(H,23,24,25).
What are the key properties of 2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-quinazolin-4-one?
2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-quinazolin-4-one has a molecular weight of 356.30 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 135627897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).