7-(4-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

C20H23FN4O — CID 16583951

IUPAC7-(4-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCN(C)CC2)nc2c1C(=O)CC(c1ccc(F)cc1)C2
InChIInChI=1S/C20H23FN4O/c1-13-19-17(23-20(22-13)25-9-7-24(2)8-10-25)11-15(12-18(19)26)14-3-5-16(21)6-4-14/h3-6,15H,7-12H2,1-2H3
InChIKeyQWWYXFZMCMYJIX-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.59
Rot. Bonds2

About 7-(4-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

7-(4-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 16583951) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID16583951
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name7-(4-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCN(C)CC2)nc2c1C(=O)CC(c1ccc(F)cc1)C2
InChIInChI=1S/C20H23FN4O/c1-13-19-17(23-20(22-13)25-9-7-24(2)8-10-25)11-15(12-18(19)26)14-3-5-16(21)6-4-14/h3-6,15H,7-12H2,1-2H3
InChIKeyQWWYXFZMCMYJIX-UHFFFAOYSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-(4-methylphenyl)-7,8-dihydroquinazolin-5(6H)-one
CID 4563710
2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-phenyl-7,8-dihydroquinazolin-5(6H)-one
CID 4602970
2-(4-benzylpiperazin-1-yl)-7,8-dihydroquinazolin-5(6H)-one
CID 666551
2-amino-4-methyl-7-phenyl-7,8-dihydroquinazolin-5(6H)-one
CID 3116072
2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 24777699
(6aR,7R,10aS)-2-(4-acetylpiperazin-1-yl)-4-(2-fluorophenyl)-7,10a-dimethyl-8-oxo-5,6,6a,7-tetrahydrobenzo[h]quinazoline-9-carbonitrile
CID 135131890
(6aR,7R,10aS)-4-(2-fluorophenyl)-7,10a-dimethyl-2-(4-methylpiperazin-1-yl)-8-oxo-5,6,6a,7-tetrahydrobenzo[h]quinazoline-9-carbonitrile
CID 135132057
(7s)-2-Amino-4-Methyl-7-Phenyl-7,8-Dihydroquinazolin-5(6h)-One
CID 792933
2-[4-(diphenylmethyl)piperazin-1-yl]-7,8-dihydroquinazolin-5(6H)-one
CID 666270

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 7-(4-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 16583951) is 7-(4-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 7-(4-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 7-(4-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(N2CCN(C)CC2)nc2c1C(=O)CC(c1ccc(F)cc1)C2.
What is the InChIKey of 7-(4-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is QWWYXFZMCMYJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c1-13-19-17(23-20(22-13)25-9-7-24(2)8-10-25)11-15(12-18(19)26)14-3-5-16(21)6-4-14/h3-6,15H,7-12H2,1-2H3.
What are the key properties of 7-(4-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
7-(4-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 354.43 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-4-methyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 16583951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).