2-(4-chlorophenyl)-1-[4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone

C22H23ClN4O — CID 87017628

IUPAC2-(4-chlorophenyl)-1-[4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone
SMILESCc1nc(CN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)nc2ccccc12
InChIInChI=1S/C22H23ClN4O/c1-16-19-4-2-3-5-20(19)25-21(24-16)15-26-10-12-27(13-11-26)22(28)14-17-6-8-18(23)9-7-17/h2-9H,10-15H2,1H3
InChIKeyVSSVPSINZRDFGN-UHFFFAOYSA-N
MW394.91 g/mol
LogP3.48
Rot. Bonds4

About 2-(4-chlorophenyl)-1-[4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone

2-(4-chlorophenyl)-1-[4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 87017628) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone
PubChem CID87017628
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name2-(4-chlorophenyl)-1-[4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone
SMILESCc1nc(CN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)nc2ccccc12
InChIInChI=1S/C22H23ClN4O/c1-16-19-4-2-3-5-20(19)25-21(24-16)15-26-10-12-27(13-11-26)22(28)14-17-6-8-18(23)9-7-17/h2-9H,10-15H2,1H3
InChIKeyVSSVPSINZRDFGN-UHFFFAOYSA-N
XLogP3.48
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 37132776
4-[(4-methylquinazolin-2-yl)methyl]-1,4-diazepane-1-carboxamide
CID 75386144
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 78806252
2-(4-chlorophenyl)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 113074065
2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-amine
CID 34700412
1-[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 58809510
N-(5-chloro-2-pyridinyl)-1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carboxamide
CID 87021618
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 37132816
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone
CID 70780037
1-[4-[(2-chloroquinolin-3-yl)methyl]piperazin-1-yl]-2-phenylethanone
CID 59140011
4-methyl-2-[[4-(2-methylsulfonylethyl)piperazin-1-yl]methyl]quinazoline
CID 75434455
1-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-2-(4-chlorophenyl)ethanone;hydrochloride
CID 120750981

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone (CID 87017628) is 2-(4-chlorophenyl)-1-[4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone is Cc1nc(CN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)nc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-1-[4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is VSSVPSINZRDFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c1-16-19-4-2-3-5-20(19)25-21(24-16)15-26-10-12-27(13-11-26)22(28)14-17-6-8-18(23)9-7-17/h2-9H,10-15H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-[4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone?
2-(4-chlorophenyl)-1-[4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 394.91 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 87017628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).