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

C19H10ClF3N2O2 — CID 176514911

IUPAC6-chloro-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(-c3cccc(C(F)(F)F)c3)o2)nc2ccc(Cl)cc12
InChIInChI=1S/C19H10ClF3N2O2/c20-12-4-5-14-13(9-12)18(26)25-17(24-14)16-7-6-15(27-16)10-2-1-3-11(8-10)19(21,22)23/h1-9H,(H,24,25,26)
InChIKeyMVPUKWABVUMYBU-UHFFFAOYSA-N
MW390.75 g/mol
LogP5.52
Rot. Bonds2

About 6-chloro-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-quinazolin-4-one

6-chloro-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-quinazolin-4-one (PubChem CID 176514911) has the molecular formula C19H10ClF3N2O2 and a molecular weight of 390.75 g/mol. Its IUPAC name is 6-chloro-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-quinazolin-4-one
PubChem CID176514911
Molecular FormulaC19H10ClF3N2O2
Molecular Weight390.75 g/mol
Exact Mass390.04
IUPAC Name6-chloro-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(-c3cccc(C(F)(F)F)c3)o2)nc2ccc(Cl)cc12
InChIInChI=1S/C19H10ClF3N2O2/c20-12-4-5-14-13(9-12)18(26)25-17(24-14)16-7-6-15(27-16)10-2-1-3-11(8-10)19(21,22)23/h1-9H,(H,24,25,26)
InChIKeyMVPUKWABVUMYBU-UHFFFAOYSA-N
XLogP5.52
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.75
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-quinazolin-4-one?
The IUPAC name of 6-chloro-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-quinazolin-4-one (CID 176514911) is 6-chloro-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 6-chloro-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-quinazolin-4-one?
The canonical SMILES for 6-chloro-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)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-quinazolin-4-one?
The InChIKey is MVPUKWABVUMYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF3N2O2/c20-12-4-5-14-13(9-12)18(26)25-17(24-14)16-7-6-15(27-16)10-2-1-3-11(8-10)19(21,22)23/h1-9H,(H,24,25,26).
What are the key properties of 6-chloro-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-quinazolin-4-one?
6-chloro-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-quinazolin-4-one has a molecular weight of 390.75 g/mol, XLogP of 5.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 176514911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).