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

C22H25FN4O2 — CID 45483288

IUPAC7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-2-(methylamino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCNc1ncc2c(n1)CC(CN1CCC(C(=O)c3ccc(F)cc3)CC1)CC2=O
InChIInChI=1S/C22H25FN4O2/c1-24-22-25-12-18-19(26-22)10-14(11-20(18)28)13-27-8-6-16(7-9-27)21(29)15-2-4-17(23)5-3-15/h2-5,12,14,16H,6-11,13H2,1H3,(H,24,25,26)
InChIKeyQALOBVQQEGVYCI-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.00
Rot. Bonds5

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

7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-2-(methylamino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 45483288) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-2-(methylamino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-2-(methylamino)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID45483288
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-2-(methylamino)-7,8-dihydro-6H-quinazolin-5-one
SMILESCNc1ncc2c(n1)CC(CN1CCC(C(=O)c3ccc(F)cc3)CC1)CC2=O
InChIInChI=1S/C22H25FN4O2/c1-24-22-25-12-18-19(26-22)10-14(11-20(18)28)13-27-8-6-16(7-9-27)21(29)15-2-4-17(23)5-3-15/h2-5,12,14,16H,6-11,13H2,1H3,(H,24,25,26)
InChIKeyQALOBVQQEGVYCI-UHFFFAOYSA-N
XLogP3.00
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-(4-Ethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 1416467
2-[(2,4-dimethylphenyl)amino]-7-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 4917731
[4-Amino-2-[4-(4-methylpiperazin-1-yl)phenylamino]pyrimidin-5-yl](3-fluorophenyl)methanone
CID 11975201
2-[(4,6-dimethylquinazolin-2-yl)amino]-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 631488
2-(2,3-dihydro-1H-indol-1-yl)-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 943239
7-methyl-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one
CID 665345
7-methyl-2-[(3-methylphenyl)amino]-7,8-dihydroquinazolin-5(6H)-one
CID 665688
2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 2986465
N-[4-[(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-propylamino]butyl]-4-phenylbenzamide
CID 44325025
2-(3,4-dihydroisoquinolin-2(1H)-yl)-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 663860
2-(3,5-dimethylpiperidin-1-yl)-7-phenyl-7,8-dihydroquinazolin-5(6H)-one
CID 664565
7-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydroquinazolin-5(6H)-one
CID 665531

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-2-(methylamino)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-2-(methylamino)-7,8-dihydro-6H-quinazolin-5-one (CID 45483288) is 7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-2-(methylamino)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-2-(methylamino)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-2-(methylamino)-7,8-dihydro-6H-quinazolin-5-one is CNc1ncc2c(n1)CC(CN1CCC(C(=O)c3ccc(F)cc3)CC1)CC2=O.
What is the InChIKey of 7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-2-(methylamino)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is QALOBVQQEGVYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-24-22-25-12-18-19(26-22)10-14(11-20(18)28)13-27-8-6-16(7-9-27)21(29)15-2-4-17(23)5-3-15/h2-5,12,14,16H,6-11,13H2,1H3,(H,24,25,26).
What are the key properties of 7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-2-(methylamino)-7,8-dihydro-6H-quinazolin-5-one?
7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-2-(methylamino)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 396.47 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-2-(methylamino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 45483288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).