2-(4-methylpiperazin-1-yl)-3-(oxolan-2-yloxymethyl)-4-phenylquinoline

C25H29N3O2 — CID 10716163

IUPAC2-(4-methylpiperazin-1-yl)-3-(oxolan-2-yloxymethyl)-4-phenylquinoline
SMILESCN1CCN(c2nc3ccccc3c(-c3ccccc3)c2COC2CCCO2)CC1
InChIInChI=1S/C25H29N3O2/c1-27-13-15-28(16-14-27)25-21(18-30-23-12-7-17-29-23)24(19-8-3-2-4-9-19)20-10-5-6-11-22(20)26-25/h2-6,8-11,23H,7,12-18H2,1H3
InChIKeyQCGLXCFFWQYKLF-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.31
Rot. Bonds5

About 2-(4-methylpiperazin-1-yl)-3-(oxolan-2-yloxymethyl)-4-phenylquinoline

2-(4-methylpiperazin-1-yl)-3-(oxolan-2-yloxymethyl)-4-phenylquinoline (PubChem CID 10716163) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-3-(oxolan-2-yloxymethyl)-4-phenylquinoline.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-3-(oxolan-2-yloxymethyl)-4-phenylquinoline
PubChem CID10716163
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name2-(4-methylpiperazin-1-yl)-3-(oxolan-2-yloxymethyl)-4-phenylquinoline
SMILESCN1CCN(c2nc3ccccc3c(-c3ccccc3)c2COC2CCCO2)CC1
InChIInChI=1S/C25H29N3O2/c1-27-13-15-28(16-14-27)25-21(18-30-23-12-7-17-29-23)24(19-8-3-2-4-9-19)20-10-5-6-11-22(20)26-25/h2-6,8-11,23H,7,12-18H2,1H3
InChIKeyQCGLXCFFWQYKLF-UHFFFAOYSA-N
XLogP4.31
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-3-(oxolan-2-yloxymethyl)-4-phenylquinoline?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-3-(oxolan-2-yloxymethyl)-4-phenylquinoline (CID 10716163) is 2-(4-methylpiperazin-1-yl)-3-(oxolan-2-yloxymethyl)-4-phenylquinoline.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-3-(oxolan-2-yloxymethyl)-4-phenylquinoline?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-3-(oxolan-2-yloxymethyl)-4-phenylquinoline is CN1CCN(c2nc3ccccc3c(-c3ccccc3)c2COC2CCCO2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-3-(oxolan-2-yloxymethyl)-4-phenylquinoline?
The InChIKey is QCGLXCFFWQYKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-27-13-15-28(16-14-27)25-21(18-30-23-12-7-17-29-23)24(19-8-3-2-4-9-19)20-10-5-6-11-22(20)26-25/h2-6,8-11,23H,7,12-18H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-3-(oxolan-2-yloxymethyl)-4-phenylquinoline?
2-(4-methylpiperazin-1-yl)-3-(oxolan-2-yloxymethyl)-4-phenylquinoline has a molecular weight of 403.53 g/mol, XLogP of 4.31, 5 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-(oxolan-2-yloxymethyl)-4-phenylquinoline is sourced from PubChem (CID 10716163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).