1-[(4-fluorophenyl)methyl]-3-methyl-5-piperazin-1-yl-4H-quinazolin-2-one;hydrochloride

C20H24ClFN4O — CID 18444456

IUPAC1-[(4-fluorophenyl)methyl]-3-methyl-5-piperazin-1-yl-4H-quinazolin-2-one;hydrochloride
SMILESCN1Cc2c(N3CCNCC3)cccc2N(Cc2ccc(F)cc2)C1=O.Cl
InChIInChI=1S/C20H23FN4O.ClH/c1-23-14-17-18(24-11-9-22-10-12-24)3-2-4-19(17)25(20(23)26)13-15-5-7-16(21)8-6-15;/h2-8,22H,9-14H2,1H3;1H
InChIKeyXAWIFRWFRRLDTH-UHFFFAOYSA-N
MW390.89 g/mol
LogP3.23
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-3-methyl-5-piperazin-1-yl-4H-quinazolin-2-one;hydrochloride

1-[(4-fluorophenyl)methyl]-3-methyl-5-piperazin-1-yl-4H-quinazolin-2-one;hydrochloride (PubChem CID 18444456) has the molecular formula C20H24ClFN4O and a molecular weight of 390.89 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-methyl-5-piperazin-1-yl-4H-quinazolin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-methyl-5-piperazin-1-yl-4H-quinazolin-2-one;hydrochloride
PubChem CID18444456
Molecular FormulaC20H24ClFN4O
Molecular Weight390.89 g/mol
Exact Mass390.16
IUPAC Name1-[(4-fluorophenyl)methyl]-3-methyl-5-piperazin-1-yl-4H-quinazolin-2-one;hydrochloride
SMILESCN1Cc2c(N3CCNCC3)cccc2N(Cc2ccc(F)cc2)C1=O.Cl
InChIInChI=1S/C20H23FN4O.ClH/c1-23-14-17-18(24-11-9-22-10-12-24)3-2-4-19(17)25(20(23)26)13-15-5-7-16(21)8-6-15;/h2-8,22H,9-14H2,1H3;1H
InChIKeyXAWIFRWFRRLDTH-UHFFFAOYSA-N
XLogP3.23
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-methyl-5-piperazin-1-yl-4H-quinazolin-2-one;hydrochloride?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-methyl-5-piperazin-1-yl-4H-quinazolin-2-one;hydrochloride (CID 18444456) is 1-[(4-fluorophenyl)methyl]-3-methyl-5-piperazin-1-yl-4H-quinazolin-2-one;hydrochloride.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-methyl-5-piperazin-1-yl-4H-quinazolin-2-one;hydrochloride?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-methyl-5-piperazin-1-yl-4H-quinazolin-2-one;hydrochloride is CN1Cc2c(N3CCNCC3)cccc2N(Cc2ccc(F)cc2)C1=O.Cl.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-methyl-5-piperazin-1-yl-4H-quinazolin-2-one;hydrochloride?
The InChIKey is XAWIFRWFRRLDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O.ClH/c1-23-14-17-18(24-11-9-22-10-12-24)3-2-4-19(17)25(20(23)26)13-15-5-7-16(21)8-6-15;/h2-8,22H,9-14H2,1H3;1H.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-methyl-5-piperazin-1-yl-4H-quinazolin-2-one;hydrochloride?
1-[(4-fluorophenyl)methyl]-3-methyl-5-piperazin-1-yl-4H-quinazolin-2-one;hydrochloride has a molecular weight of 390.89 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-methyl-5-piperazin-1-yl-4H-quinazolin-2-one;hydrochloride is sourced from PubChem (CID 18444456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).