7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-2-phenyl-7,8-dihydro-6H-quinazolin-5-one

C27H26FN3O2 — CID 45483329

IUPAC7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-2-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2nc(-c3ccccc3)ncc21
InChIInChI=1S/C27H26FN3O2/c28-22-8-6-19(7-9-22)26(33)20-10-12-31(13-11-20)17-18-14-24-23(25(32)15-18)16-29-27(30-24)21-4-2-1-3-5-21/h1-9,16,18,20H,10-15,17H2
InChIKeyYJDRVZUFKMOWPD-UHFFFAOYSA-N
MW443.52 g/mol
LogP4.62
Rot. Bonds5

About 7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-2-phenyl-7,8-dihydro-6H-quinazolin-5-one

7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-2-phenyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 45483329) has the molecular formula C27H26FN3O2 and a molecular weight of 443.52 g/mol. Its IUPAC name is 7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-2-phenyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-2-phenyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID45483329
Molecular FormulaC27H26FN3O2
Molecular Weight443.52 g/mol
Exact Mass443.20
IUPAC Name7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-2-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2nc(-c3ccccc3)ncc21
InChIInChI=1S/C27H26FN3O2/c28-22-8-6-19(7-9-22)26(33)20-10-12-31(13-11-20)17-18-14-24-23(25(32)15-18)16-29-27(30-24)21-4-2-1-3-5-21/h1-9,16,18,20H,10-15,17H2
InChIKeyYJDRVZUFKMOWPD-UHFFFAOYSA-N
XLogP4.62
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-2-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-2-phenyl-7,8-dihydro-6H-quinazolin-5-one (CID 45483329) is 7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-2-phenyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-2-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-2-phenyl-7,8-dihydro-6H-quinazolin-5-one is O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2nc(-c3ccccc3)ncc21.
What is the InChIKey of 7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-2-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is YJDRVZUFKMOWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O2/c28-22-8-6-19(7-9-22)26(33)20-10-12-31(13-11-20)17-18-14-24-23(25(32)15-18)16-29-27(30-24)21-4-2-1-3-5-21/h1-9,16,18,20H,10-15,17H2.
What are the key properties of 7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-2-phenyl-7,8-dihydro-6H-quinazolin-5-one?
7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-2-phenyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 443.52 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-2-phenyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 45483329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).