(2R)-3-(4-fluorophenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one

C22H16FN5O — CID 9291977

IUPAC(2R)-3-(4-fluorophenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2cnn(-c3ccccc3)n2)N1c1ccc(F)cc1
InChIInChI=1S/C22H16FN5O/c23-15-10-12-16(13-11-15)27-21(25-19-9-5-4-8-18(19)22(27)29)20-14-24-28(26-20)17-6-2-1-3-7-17/h1-14,21,25H/t21-/m1/s1
InChIKeyXSSJGCBXAWWUOG-OAQYLSRUSA-N
MW385.40 g/mol
LogP4.18
Rot. Bonds3

About (2R)-3-(4-fluorophenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one

(2R)-3-(4-fluorophenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one (PubChem CID 9291977) has the molecular formula C22H16FN5O and a molecular weight of 385.40 g/mol. Its IUPAC name is (2R)-3-(4-fluorophenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-3-(4-fluorophenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one
PubChem CID9291977
Molecular FormulaC22H16FN5O
Molecular Weight385.40 g/mol
Exact Mass385.13
IUPAC Name(2R)-3-(4-fluorophenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2cnn(-c3ccccc3)n2)N1c1ccc(F)cc1
InChIInChI=1S/C22H16FN5O/c23-15-10-12-16(13-11-15)27-21(25-19-9-5-4-8-18(19)22(27)29)20-14-24-28(26-20)17-6-2-1-3-7-17/h1-14,21,25H/t21-/m1/s1
InChIKeyXSSJGCBXAWWUOG-OAQYLSRUSA-N
XLogP4.18
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-fluorophenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-3-(4-fluorophenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one (CID 9291977) is (2R)-3-(4-fluorophenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-3-(4-fluorophenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-3-(4-fluorophenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@@H](c2cnn(-c3ccccc3)n2)N1c1ccc(F)cc1.
What is the InChIKey of (2R)-3-(4-fluorophenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one?
The InChIKey is XSSJGCBXAWWUOG-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H16FN5O/c23-15-10-12-16(13-11-15)27-21(25-19-9-5-4-8-18(19)22(27)29)20-14-24-28(26-20)17-6-2-1-3-7-17/h1-14,21,25H/t21-/m1/s1.
What are the key properties of (2R)-3-(4-fluorophenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one?
(2R)-3-(4-fluorophenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one has a molecular weight of 385.40 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-fluorophenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 9291977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).