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

C21H22FN3O2 — CID 45483246

IUPAC7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2ncncc21
InChIInChI=1S/C21H22FN3O2/c22-17-3-1-15(2-4-17)21(27)16-5-7-25(8-6-16)12-14-9-19-18(20(26)10-14)11-23-13-24-19/h1-4,11,13-14,16H,5-10,12H2
InChIKeyAPGISPPDWLSWQA-UHFFFAOYSA-N
MW367.42 g/mol
LogP2.96
Rot. Bonds4

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

7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 45483246) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-7,8-dihydro-6H-quinazolin-5-one
PubChem CID45483246
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2ncncc21
InChIInChI=1S/C21H22FN3O2/c22-17-3-1-15(2-4-17)21(27)16-5-7-25(8-6-16)12-14-9-19-18(20(26)10-14)11-23-13-24-19/h1-4,11,13-14,16H,5-10,12H2
InChIKeyAPGISPPDWLSWQA-UHFFFAOYSA-N
XLogP2.96
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 52.96
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]-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-7,8-dihydro-6H-quinazolin-5-one (CID 45483246) is 7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-7,8-dihydro-6H-quinazolin-5-one is O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2ncncc21.
What is the InChIKey of 7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is APGISPPDWLSWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c22-17-3-1-15(2-4-17)21(27)16-5-7-25(8-6-16)12-14-9-19-18(20(26)10-14)11-23-13-24-19/h1-4,11,13-14,16H,5-10,12H2.
What are the key properties of 7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-7,8-dihydro-6H-quinazolin-5-one?
7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 367.42 g/mol, XLogP of 2.96, 4 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]-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 45483246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).