2-(4-methylpiperazin-1-yl)-3-[2-(oxolan-2-yloxy)ethyl]-4-phenylquinoline

C26H31N3O2 — CID 10574004

IUPAC2-(4-methylpiperazin-1-yl)-3-[2-(oxolan-2-yloxy)ethyl]-4-phenylquinoline
SMILESCN1CCN(c2nc3ccccc3c(-c3ccccc3)c2CCOC2CCCO2)CC1
InChIInChI=1S/C26H31N3O2/c1-28-14-16-29(17-15-28)26-22(13-19-31-24-12-7-18-30-24)25(20-8-3-2-4-9-20)21-10-5-6-11-23(21)27-26/h2-6,8-11,24H,7,12-19H2,1H3
InChIKeyBALBTHVJTPFUOX-UHFFFAOYSA-N
MW417.55 g/mol
LogP4.35
Rot. Bonds6

About 2-(4-methylpiperazin-1-yl)-3-[2-(oxolan-2-yloxy)ethyl]-4-phenylquinoline

2-(4-methylpiperazin-1-yl)-3-[2-(oxolan-2-yloxy)ethyl]-4-phenylquinoline (PubChem CID 10574004) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-3-[2-(oxolan-2-yloxy)ethyl]-4-phenylquinoline.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-3-[2-(oxolan-2-yloxy)ethyl]-4-phenylquinoline
PubChem CID10574004
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Name2-(4-methylpiperazin-1-yl)-3-[2-(oxolan-2-yloxy)ethyl]-4-phenylquinoline
SMILESCN1CCN(c2nc3ccccc3c(-c3ccccc3)c2CCOC2CCCO2)CC1
InChIInChI=1S/C26H31N3O2/c1-28-14-16-29(17-15-28)26-22(13-19-31-24-12-7-18-30-24)25(20-8-3-2-4-9-20)21-10-5-6-11-23(21)27-26/h2-6,8-11,24H,7,12-19H2,1H3
InChIKeyBALBTHVJTPFUOX-UHFFFAOYSA-N
XLogP4.35
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-Methyl-piperazin-1-yl)-4-phenyl-quinolin-3-yl]-ethanol
CID 10617666
4-(2-Fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-3-[2-(tetrahydro-furan-2-yloxy)-ethyl]-quinoline
CID 10741549
[2-(4-Methyl-piperazin-1-yl)-4-phenyl-quinolin-3-yl]-acetic acid ethyl ester
CID 11794706
[2-(4-Methyl-piperazin-1-yl)-4-phenyl-quinolin-3-yl]-methanol
CID 44286632
2-[4-(2-Fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-quinolin-3-yl]-ethanol
CID 44287078
2-(4-Methylpiperazin-1-yl)-4-phenylquinoline
CID 721629
2,6-Dimethyl-4-(4-phenyl-2-quinolinyl)morpholine
CID 3276442
2-(2,6-Dimethylmorpholino)-3-phenylquinoline
CID 3816730
3-Methyl-2-(4-methyl-piperazin-1-yl)-4-phenyl-quinoline
CID 10495722
2-(4-Methyl-piperazin-1-yl)-4-phenyl-3-(tetrahydro-furan-2-yloxymethyl)-quinoline
CID 10716163
4-(2-Fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-3-[2-(tetrahydro-pyran-2-yloxy)-ethyl]-quinoline
CID 10742150
[4-Hydroxymethyl-2-(4-methyl-piperazin-1-yl)-quinolin-3-yl]-methanol
CID 11243170

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-3-[2-(oxolan-2-yloxy)ethyl]-4-phenylquinoline?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-3-[2-(oxolan-2-yloxy)ethyl]-4-phenylquinoline (CID 10574004) is 2-(4-methylpiperazin-1-yl)-3-[2-(oxolan-2-yloxy)ethyl]-4-phenylquinoline.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-3-[2-(oxolan-2-yloxy)ethyl]-4-phenylquinoline?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-3-[2-(oxolan-2-yloxy)ethyl]-4-phenylquinoline is CN1CCN(c2nc3ccccc3c(-c3ccccc3)c2CCOC2CCCO2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-3-[2-(oxolan-2-yloxy)ethyl]-4-phenylquinoline?
The InChIKey is BALBTHVJTPFUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-28-14-16-29(17-15-28)26-22(13-19-31-24-12-7-18-30-24)25(20-8-3-2-4-9-20)21-10-5-6-11-23(21)27-26/h2-6,8-11,24H,7,12-19H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-3-[2-(oxolan-2-yloxy)ethyl]-4-phenylquinoline?
2-(4-methylpiperazin-1-yl)-3-[2-(oxolan-2-yloxy)ethyl]-4-phenylquinoline has a molecular weight of 417.55 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-3-[2-(oxolan-2-yloxy)ethyl]-4-phenylquinoline is sourced from PubChem (CID 10574004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).