1-[(4-methylphenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one

C20H24N4O — CID 143078873

IUPAC1-[(4-methylphenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one
SMILESCc1ccc(CN2C(=O)NCc3c(N4CCNCC4)cccc32)cc1
InChIInChI=1S/C20H24N4O/c1-15-5-7-16(8-6-15)14-24-19-4-2-3-18(17(19)13-22-20(24)25)23-11-9-21-10-12-23/h2-8,21H,9-14H2,1H3,(H,22,25)
InChIKeyNQUCXZCYARORIC-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.63
Rot. Bonds3

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

1-[(4-methylphenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one (PubChem CID 143078873) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one
PubChem CID143078873
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name1-[(4-methylphenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one
SMILESCc1ccc(CN2C(=O)NCc3c(N4CCNCC4)cccc32)cc1
InChIInChI=1S/C20H24N4O/c1-15-5-7-16(8-6-15)14-24-19-4-2-3-18(17(19)13-22-20(24)25)23-11-9-21-10-12-23/h2-8,21H,9-14H2,1H3,(H,22,25)
InChIKeyNQUCXZCYARORIC-UHFFFAOYSA-N
XLogP2.63
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.63
H-Bond Donors ≤ 52
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
1-[(2-methylphenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one;hydrochloride
CID 18444445
1-[(2-chlorophenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one
CID 11152498
2-[(4-methylphenyl)methyl]-4-piperazin-1-yl-1,3-dihydroisoindole
CID 94778572
1-[(4-fluorophenyl)methyl]-3-methyl-5-piperazin-1-yl-4H-quinazolin-2-one;hydrochloride
CID 18444456
1-[(3-fluorophenyl)methyl]-5-(4-methylpiperazin-1-yl)-3,4-dihydroquinazolin-2-one
CID 11210427
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
4-[(4-methylphenyl)methyl]-1,4-diazepan-5-one
CID 53409912
(2R)-4-benzyl-2-methyl-8-piperazin-1-yl-1,4-benzoxazin-3-one
CID 10382444
1-[(2-fluorophenyl)methyl]-3-methyl-5-piperazin-1-yl-4H-quinazolin-2-one;hydrochloride
CID 18444442
1-(2-methyl-3-pyridinyl)piperazine;dihydrochloride
CID 70057644

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one?
The IUPAC name of 1-[(4-methylphenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one (CID 143078873) is 1-[(4-methylphenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one is Cc1ccc(CN2C(=O)NCc3c(N4CCNCC4)cccc32)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one?
The InChIKey is NQUCXZCYARORIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-15-5-7-16(8-6-15)14-24-19-4-2-3-18(17(19)13-22-20(24)25)23-11-9-21-10-12-23/h2-8,21H,9-14H2,1H3,(H,22,25).
What are the key properties of 1-[(4-methylphenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one?
1-[(4-methylphenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one has a molecular weight of 336.44 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one is sourced from PubChem (CID 143078873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).