1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzo[cd]indol-2-one

C24H22ClN3O2 — CID 2198258

IUPAC1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzo[cd]indol-2-one
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)CN2C(=O)c3cccc4cccc2c34)CC1
InChIInChI=1S/C24H22ClN3O2/c1-16-8-9-18(25)14-21(16)26-10-12-27(13-11-26)22(29)15-28-20-7-3-5-17-4-2-6-19(23(17)20)24(28)30/h2-9,14H,10-13,15H2,1H3
InChIKeyHUEPGEONVPFRTN-UHFFFAOYSA-N
MW419.91 g/mol
LogP4.11
Rot. Bonds3

About 1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzo[cd]indol-2-one

1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzo[cd]indol-2-one (PubChem CID 2198258) has the molecular formula C24H22ClN3O2 and a molecular weight of 419.91 g/mol. Its IUPAC name is 1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzo[cd]indol-2-one
PubChem CID2198258
Molecular FormulaC24H22ClN3O2
Molecular Weight419.91 g/mol
Exact Mass419.14
IUPAC Name1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzo[cd]indol-2-one
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)CN2C(=O)c3cccc4cccc2c34)CC1
InChIInChI=1S/C24H22ClN3O2/c1-16-8-9-18(25)14-21(16)26-10-12-27(13-11-26)22(29)15-28-20-7-3-5-17-4-2-6-19(23(17)20)24(28)30/h2-9,14H,10-13,15H2,1H3
InChIKeyHUEPGEONVPFRTN-UHFFFAOYSA-N
XLogP4.11
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.91
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzo[cd]indol-2-one?
The IUPAC name of 1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzo[cd]indol-2-one (CID 2198258) is 1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzo[cd]indol-2-one.
What is the SMILES notation for 1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzo[cd]indol-2-one?
The canonical SMILES for 1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzo[cd]indol-2-one is Cc1ccc(Cl)cc1N1CCN(C(=O)CN2C(=O)c3cccc4cccc2c34)CC1.
What is the InChIKey of 1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzo[cd]indol-2-one?
The InChIKey is HUEPGEONVPFRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O2/c1-16-8-9-18(25)14-21(16)26-10-12-27(13-11-26)22(29)15-28-20-7-3-5-17-4-2-6-19(23(17)20)24(28)30/h2-9,14H,10-13,15H2,1H3.
What are the key properties of 1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzo[cd]indol-2-one?
1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzo[cd]indol-2-one has a molecular weight of 419.91 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzo[cd]indol-2-one is sourced from PubChem (CID 2198258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).