1-[(3-fluorophenyl)methyl]-5-(4-methylpiperazin-1-yl)-3,4-dihydroquinazolin-2-one

C20H23FN4O — CID 11210427

IUPAC1-[(3-fluorophenyl)methyl]-5-(4-methylpiperazin-1-yl)-3,4-dihydroquinazolin-2-one
SMILESCN1CCN(c2cccc3c2CNC(=O)N3Cc2cccc(F)c2)CC1
InChIInChI=1S/C20H23FN4O/c1-23-8-10-24(11-9-23)18-6-3-7-19-17(18)13-22-20(26)25(19)14-15-4-2-5-16(21)12-15/h2-7,12H,8-11,13-14H2,1H3,(H,22,26)
InChIKeyCOSPLTUHJCIOQN-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.81
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]-5-(4-methylpiperazin-1-yl)-3,4-dihydroquinazolin-2-one

1-[(3-fluorophenyl)methyl]-5-(4-methylpiperazin-1-yl)-3,4-dihydroquinazolin-2-one (PubChem CID 11210427) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-5-(4-methylpiperazin-1-yl)-3,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-5-(4-methylpiperazin-1-yl)-3,4-dihydroquinazolin-2-one
PubChem CID11210427
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name1-[(3-fluorophenyl)methyl]-5-(4-methylpiperazin-1-yl)-3,4-dihydroquinazolin-2-one
SMILESCN1CCN(c2cccc3c2CNC(=O)N3Cc2cccc(F)c2)CC1
InChIInChI=1S/C20H23FN4O/c1-23-8-10-24(11-9-23)18-6-3-7-19-17(18)13-22-20(26)25(19)14-15-4-2-5-16(21)12-15/h2-7,12H,8-11,13-14H2,1H3,(H,22,26)
InChIKeyCOSPLTUHJCIOQN-UHFFFAOYSA-N
XLogP2.81
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chlorophenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one
CID 11428267
tert-butyl 4-[1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydroquinazolin-5-yl]piperazine-1-carboxylate
CID 69114931
1-[(3-fluorophenyl)methyl]-5-piperazin-1-yl-4H-3,1-benzoxazin-2-one
CID 11256326
1-[(4-methylphenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one
CID 143078873
3-bromo-1-[(3-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)pyridin-2-one;2,2,2-trifluoroacetic acid
CID 22051025
1-[(3-chlorophenyl)methyl]-3,4-dihydroquinazolin-2-one
CID 141040925
1-[(2-chlorophenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one
CID 11152498
1-[(4-fluorophenyl)methyl]-3-methyl-5-piperazin-1-yl-4H-quinazolin-2-one;hydrochloride
CID 18444456
1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 792533
2-(4-acetylphenyl)-4-[(3-fluorophenyl)methyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
CID 154831417
4-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-[(3-fluorophenyl)methyl]isoindole-1,3-dione
CID 42172121
1-[(3-fluorophenyl)methyl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 56523512

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-5-(4-methylpiperazin-1-yl)-3,4-dihydroquinazolin-2-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-5-(4-methylpiperazin-1-yl)-3,4-dihydroquinazolin-2-one (CID 11210427) is 1-[(3-fluorophenyl)methyl]-5-(4-methylpiperazin-1-yl)-3,4-dihydroquinazolin-2-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-5-(4-methylpiperazin-1-yl)-3,4-dihydroquinazolin-2-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-5-(4-methylpiperazin-1-yl)-3,4-dihydroquinazolin-2-one is CN1CCN(c2cccc3c2CNC(=O)N3Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-5-(4-methylpiperazin-1-yl)-3,4-dihydroquinazolin-2-one?
The InChIKey is COSPLTUHJCIOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c1-23-8-10-24(11-9-23)18-6-3-7-19-17(18)13-22-20(26)25(19)14-15-4-2-5-16(21)12-15/h2-7,12H,8-11,13-14H2,1H3,(H,22,26).
What are the key properties of 1-[(3-fluorophenyl)methyl]-5-(4-methylpiperazin-1-yl)-3,4-dihydroquinazolin-2-one?
1-[(3-fluorophenyl)methyl]-5-(4-methylpiperazin-1-yl)-3,4-dihydroquinazolin-2-one has a molecular weight of 354.43 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-5-(4-methylpiperazin-1-yl)-3,4-dihydroquinazolin-2-one is sourced from PubChem (CID 11210427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).