(2R)-3-cyclopropyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one

C21H17FN2O2 — CID 25340350

IUPAC(2R)-3-cyclopropyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2ccc(-c3ccc(F)cc3)o2)N1C1CC1
InChIInChI=1S/C21H17FN2O2/c22-14-7-5-13(6-8-14)18-11-12-19(26-18)20-23-17-4-2-1-3-16(17)21(25)24(20)15-9-10-15/h1-8,11-12,15,20,23H,9-10H2/t20-/m1/s1
InChIKeyHMHFRSRJKKEHNM-HXUWFJFHSA-N
MW348.38 g/mol
LogP4.81
Rot. Bonds3

About (2R)-3-cyclopropyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one

(2R)-3-cyclopropyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one (PubChem CID 25340350) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is (2R)-3-cyclopropyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-3-cyclopropyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
PubChem CID25340350
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name(2R)-3-cyclopropyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2ccc(-c3ccc(F)cc3)o2)N1C1CC1
InChIInChI=1S/C21H17FN2O2/c22-14-7-5-13(6-8-14)18-11-12-19(26-18)20-23-17-4-2-1-3-16(17)21(25)24(20)15-9-10-15/h1-8,11-12,15,20,23H,9-10H2/t20-/m1/s1
InChIKeyHMHFRSRJKKEHNM-HXUWFJFHSA-N
XLogP4.81
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-3-cyclopropyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-3-cyclopropyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-3-cyclopropyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one (CID 25340350) is (2R)-3-cyclopropyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-3-cyclopropyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-3-cyclopropyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@@H](c2ccc(-c3ccc(F)cc3)o2)N1C1CC1.
What is the InChIKey of (2R)-3-cyclopropyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one?
The InChIKey is HMHFRSRJKKEHNM-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H17FN2O2/c22-14-7-5-13(6-8-14)18-11-12-19(26-18)20-23-17-4-2-1-3-16(17)21(25)24(20)15-9-10-15/h1-8,11-12,15,20,23H,9-10H2/t20-/m1/s1.
What are the key properties of (2R)-3-cyclopropyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one?
(2R)-3-cyclopropyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one has a molecular weight of 348.38 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-cyclopropyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 25340350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).