[3-methyl-2-(4-methylpiperazin-1-yl)quinolin-4-yl]-phenylmethanone

C22H23N3O — CID 11290923

IUPAC[3-methyl-2-(4-methylpiperazin-1-yl)quinolin-4-yl]-phenylmethanone
SMILESCc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)c1ccccc1
InChIInChI=1S/C22H23N3O/c1-16-20(21(26)17-8-4-3-5-9-17)18-10-6-7-11-19(18)23-22(16)25-14-12-24(2)13-15-25/h3-11H,12-15H2,1-2H3
InChIKeyALCQZHWTJMXWQI-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.53
Rot. Bonds3

About [3-methyl-2-(4-methylpiperazin-1-yl)quinolin-4-yl]-phenylmethanone

[3-methyl-2-(4-methylpiperazin-1-yl)quinolin-4-yl]-phenylmethanone (PubChem CID 11290923) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is [3-methyl-2-(4-methylpiperazin-1-yl)quinolin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-methyl-2-(4-methylpiperazin-1-yl)quinolin-4-yl]-phenylmethanone
PubChem CID11290923
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name[3-methyl-2-(4-methylpiperazin-1-yl)quinolin-4-yl]-phenylmethanone
SMILESCc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)c1ccccc1
InChIInChI=1S/C22H23N3O/c1-16-20(21(26)17-8-4-3-5-9-17)18-10-6-7-11-19(18)23-22(16)25-14-12-24(2)13-15-25/h3-11H,12-15H2,1-2H3
InChIKeyALCQZHWTJMXWQI-UHFFFAOYSA-N
XLogP3.53
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(4-methylpiperazin-1-yl)quinolin-4-yl]-phenylmethanone?
The IUPAC name of [3-methyl-2-(4-methylpiperazin-1-yl)quinolin-4-yl]-phenylmethanone (CID 11290923) is [3-methyl-2-(4-methylpiperazin-1-yl)quinolin-4-yl]-phenylmethanone.
What is the SMILES notation for [3-methyl-2-(4-methylpiperazin-1-yl)quinolin-4-yl]-phenylmethanone?
The canonical SMILES for [3-methyl-2-(4-methylpiperazin-1-yl)quinolin-4-yl]-phenylmethanone is Cc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)c1ccccc1.
What is the InChIKey of [3-methyl-2-(4-methylpiperazin-1-yl)quinolin-4-yl]-phenylmethanone?
The InChIKey is ALCQZHWTJMXWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-16-20(21(26)17-8-4-3-5-9-17)18-10-6-7-11-19(18)23-22(16)25-14-12-24(2)13-15-25/h3-11H,12-15H2,1-2H3.
What are the key properties of [3-methyl-2-(4-methylpiperazin-1-yl)quinolin-4-yl]-phenylmethanone?
[3-methyl-2-(4-methylpiperazin-1-yl)quinolin-4-yl]-phenylmethanone has a molecular weight of 345.45 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(4-methylpiperazin-1-yl)quinolin-4-yl]-phenylmethanone is sourced from PubChem (CID 11290923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).