3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one

C21H21ClN4O2 — CID 60556980

IUPAC3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
SMILESCc1cccc2c(=O)n(CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)cnc12
InChIInChI=1S/C21H21ClN4O2/c1-15-3-2-4-18-20(15)23-14-26(21(18)28)13-19(27)25-11-9-24(10-12-25)17-7-5-16(22)6-8-17/h2-8,14H,9-13H2,1H3
InChIKeyJWUNINKUDHFWFE-UHFFFAOYSA-N
MW396.88 g/mol
LogP2.71
Rot. Bonds3

About 3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one

3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one (PubChem CID 60556980) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
PubChem CID60556980
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
SMILESCc1cccc2c(=O)n(CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)cnc12
InChIInChI=1S/C21H21ClN4O2/c1-15-3-2-4-18-20(15)23-14-26(21(18)28)13-19(27)25-11-9-24(10-12-25)17-7-5-16(22)6-8-17/h2-8,14H,9-13H2,1H3
InChIKeyJWUNINKUDHFWFE-UHFFFAOYSA-N
XLogP2.71
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 27873849
8-methyl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]quinazolin-4-one
CID 27872511
3-[2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 35273467
3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 38599623
3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 27006126
8-methyl-3-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 39443064
8-methyl-3-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 51264656
3-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 35374273
8-methyl-3-[2-oxo-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 43073607
2-[4-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 134061926
3-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 39447640
(3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxylic acid
CID 124697529

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one?
The IUPAC name of 3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one (CID 60556980) is 3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one.
What is the SMILES notation for 3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one?
The canonical SMILES for 3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one is Cc1cccc2c(=O)n(CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)cnc12.
What is the InChIKey of 3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one?
The InChIKey is JWUNINKUDHFWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-15-3-2-4-18-20(15)23-14-26(21(18)28)13-19(27)25-11-9-24(10-12-25)17-7-5-16(22)6-8-17/h2-8,14H,9-13H2,1H3.
What are the key properties of 3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one?
3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one has a molecular weight of 396.88 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one is sourced from PubChem (CID 60556980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).