4-(4-fluorophenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one

C19H16FN3O — CID 25027297

IUPAC4-(4-fluorophenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
SMILESO=C1CCCC2=C1C(c1ccc(F)cc1)N=C(c1ccccn1)N2
InChIInChI=1S/C19H16FN3O/c20-13-9-7-12(8-10-13)18-17-14(5-3-6-16(17)24)22-19(23-18)15-4-1-2-11-21-15/h1-2,4,7-11,18H,3,5-6H2,(H,22,23)
InChIKeySEGLAKCRGYZWAI-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.32
Rot. Bonds2

About 4-(4-fluorophenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one

4-(4-fluorophenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one (PubChem CID 25027297) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
PubChem CID25027297
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name4-(4-fluorophenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
SMILESO=C1CCCC2=C1C(c1ccc(F)cc1)N=C(c1ccccn1)N2
InChIInChI=1S/C19H16FN3O/c20-13-9-7-12(8-10-13)18-17-14(5-3-6-16(17)24)22-19(23-18)15-4-1-2-11-21-15/h1-2,4,7-11,18H,3,5-6H2,(H,22,23)
InChIKeySEGLAKCRGYZWAI-UHFFFAOYSA-N
XLogP3.32
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
The IUPAC name of 4-(4-fluorophenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one (CID 25027297) is 4-(4-fluorophenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one.
What is the SMILES notation for 4-(4-fluorophenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
The canonical SMILES for 4-(4-fluorophenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one is O=C1CCCC2=C1C(c1ccc(F)cc1)N=C(c1ccccn1)N2.
What is the InChIKey of 4-(4-fluorophenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
The InChIKey is SEGLAKCRGYZWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c20-13-9-7-12(8-10-13)18-17-14(5-3-6-16(17)24)22-19(23-18)15-4-1-2-11-21-15/h1-2,4,7-11,18H,3,5-6H2,(H,22,23).
What are the key properties of 4-(4-fluorophenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
4-(4-fluorophenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one has a molecular weight of 321.36 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one is sourced from PubChem (CID 25027297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).