2-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone

C24H27N3O — CID 170511551

IUPAC2-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCc1cccc(-c2cc(C)c3cc(CC(=O)N4CCN(C)CC4)ccc3n2)c1
InChIInChI=1S/C24H27N3O/c1-17-5-4-6-20(13-17)23-14-18(2)21-15-19(7-8-22(21)25-23)16-24(28)27-11-9-26(3)10-12-27/h4-8,13-15H,9-12,16H2,1-3H3
InChIKeyJBUIVCMLHBPQLY-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.84
Rot. Bonds3

About 2-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone

2-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 170511551) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID170511551
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name2-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCc1cccc(-c2cc(C)c3cc(CC(=O)N4CCN(C)CC4)ccc3n2)c1
InChIInChI=1S/C24H27N3O/c1-17-5-4-6-20(13-17)23-14-18(2)21-15-19(7-8-22(21)25-23)16-24(28)27-11-9-26(3)10-12-27/h4-8,13-15H,9-12,16H2,1-3H3
InChIKeyJBUIVCMLHBPQLY-UHFFFAOYSA-N
XLogP3.84
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-methyl-2-(1-methylpyrazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone
CID 169412361
2-[4-methyl-2-(1,2-thiazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone
CID 169411675
[2-(3-bromophenyl)-6-methylquinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 2220574
1-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]pyrrolidin-2-one
CID 169420701
[3-(3-methylphenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 71690161
2-(2-methyl-1,3-benzoxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110773791
3-[4-methyl-6-(morpholin-4-ylmethyl)quinolin-2-yl]phenol
CID 169415857
1-(4-methyl-1,4-diazepan-1-yl)-2-(4-phenylphenyl)ethanone
CID 17167239
formic acid;4-methyl-6-[2-(4-methylpiperazin-1-yl)ethyl]-2-quinolin-7-ylquinoline
CID 171708321
2-(3-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone
CID 6469987
6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid
CID 3348265
[2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 3533983

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone (CID 170511551) is 2-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone is Cc1cccc(-c2cc(C)c3cc(CC(=O)N4CCN(C)CC4)ccc3n2)c1.
What is the InChIKey of 2-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is JBUIVCMLHBPQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-17-5-4-6-20(13-17)23-14-18(2)21-15-19(7-8-22(21)25-23)16-24(28)27-11-9-26(3)10-12-27/h4-8,13-15H,9-12,16H2,1-3H3.
What are the key properties of 2-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone?
2-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 373.50 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 170511551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).