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

C20H25ClN4O — CID 18444445

IUPAC1-[(2-methylphenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one;hydrochloride
SMILESCc1ccccc1CN1C(=O)NCc2c(N3CCNCC3)cccc21.Cl
InChIInChI=1S/C20H24N4O.ClH/c1-15-5-2-3-6-16(15)14-24-19-8-4-7-18(17(19)13-22-20(24)25)23-11-9-21-10-12-23;/h2-8,21H,9-14H2,1H3,(H,22,25);1H
InChIKeyQDCVTDWUEQSWLR-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.06
Rot. Bonds3

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

1-[(2-methylphenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one;hydrochloride (PubChem CID 18444445) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one;hydrochloride
PubChem CID18444445
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name1-[(2-methylphenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one;hydrochloride
SMILESCc1ccccc1CN1C(=O)NCc2c(N3CCNCC3)cccc21.Cl
InChIInChI=1S/C20H24N4O.ClH/c1-15-5-2-3-6-16(15)14-24-19-8-4-7-18(17(19)13-22-20(24)25)23-11-9-21-10-12-23;/h2-8,21H,9-14H2,1H3,(H,22,25);1H
InChIKeyQDCVTDWUEQSWLR-UHFFFAOYSA-N
XLogP3.06
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one
CID 11152498
1-[(4-methylphenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one
CID 143078873
1-[(3-chlorophenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one
CID 11428267
1-[(2-fluorophenyl)methyl]-3-methyl-5-piperazin-1-yl-4H-quinazolin-2-one;hydrochloride
CID 18444442
1-[(3-fluorophenyl)methyl]-5-(4-methylpiperazin-1-yl)-3,4-dihydroquinazolin-2-one
CID 11210427
1-[(2-methoxy-3-piperazin-1-ylphenyl)methyl]-3,4-dihydroquinolin-2-one
CID 10247389
1-[(4-fluorophenyl)methyl]-3-methyl-5-piperazin-1-yl-4H-quinazolin-2-one;hydrochloride
CID 18444456
1-[2-(2,6-dimethylphenyl)sulfinylphenyl]piperazine
CID 151229495
(2-piperazin-1-ylphenyl)methanamine;hydrochloride
CID 174363608
1-(2-butylphenyl)piperazine
CID 14479835
1-(2-methyl-3-pyridinyl)piperazine;dihydrochloride
CID 70057644
tert-butyl 4-[1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydroquinazolin-5-yl]piperazine-1-carboxylate
CID 69114931

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one;hydrochloride?
The IUPAC name of 1-[(2-methylphenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one;hydrochloride (CID 18444445) is 1-[(2-methylphenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one;hydrochloride.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one;hydrochloride?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one;hydrochloride is Cc1ccccc1CN1C(=O)NCc2c(N3CCNCC3)cccc21.Cl.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one;hydrochloride?
The InChIKey is QDCVTDWUEQSWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O.ClH/c1-15-5-2-3-6-16(15)14-24-19-8-4-7-18(17(19)13-22-20(24)25)23-11-9-21-10-12-23;/h2-8,21H,9-14H2,1H3,(H,22,25);1H.
What are the key properties of 1-[(2-methylphenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one;hydrochloride?
1-[(2-methylphenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one;hydrochloride has a molecular weight of 372.90 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one;hydrochloride is sourced from PubChem (CID 18444445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).