4-(4-fluorophenyl)-6-phenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one

C25H18FN3O — CID 3708014

IUPAC4-(4-fluorophenyl)-6-phenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(c2ccccc2)=C(c2ccc3ccccc3n2)C(c2ccc(F)cc2)N1
InChIInChI=1S/C25H18FN3O/c26-19-13-10-18(11-14-19)24-22(21-15-12-16-6-4-5-9-20(16)27-21)23(28-25(30)29-24)17-7-2-1-3-8-17/h1-15,24H,(H2,28,29,30)
InChIKeyUSHPRGCHNHGZBD-UHFFFAOYSA-N
MW395.44 g/mol
LogP5.30
Rot. Bonds3

About 4-(4-fluorophenyl)-6-phenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one

4-(4-fluorophenyl)-6-phenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 3708014) has the molecular formula C25H18FN3O and a molecular weight of 395.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-phenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-phenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID3708014
Molecular FormulaC25H18FN3O
Molecular Weight395.44 g/mol
Exact Mass395.14
IUPAC Name4-(4-fluorophenyl)-6-phenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(c2ccccc2)=C(c2ccc3ccccc3n2)C(c2ccc(F)cc2)N1
InChIInChI=1S/C25H18FN3O/c26-19-13-10-18(11-14-19)24-22(21-15-12-16-6-4-5-9-20(16)27-21)23(28-25(30)29-24)17-7-2-1-3-8-17/h1-15,24H,(H2,28,29,30)
InChIKeyUSHPRGCHNHGZBD-UHFFFAOYSA-N
XLogP5.30
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.44
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-phenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 4-(4-fluorophenyl)-6-phenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one (CID 3708014) is 4-(4-fluorophenyl)-6-phenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)-6-phenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 4-(4-fluorophenyl)-6-phenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one is O=C1NC(c2ccccc2)=C(c2ccc3ccccc3n2)C(c2ccc(F)cc2)N1.
What is the InChIKey of 4-(4-fluorophenyl)-6-phenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is USHPRGCHNHGZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3O/c26-19-13-10-18(11-14-19)24-22(21-15-12-16-6-4-5-9-20(16)27-21)23(28-25(30)29-24)17-7-2-1-3-8-17/h1-15,24H,(H2,28,29,30).
What are the key properties of 4-(4-fluorophenyl)-6-phenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
4-(4-fluorophenyl)-6-phenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 395.44 g/mol, XLogP of 5.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-phenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 3708014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).