1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]propan-1-ol

C17H23N3O — CID 90273343

IUPAC1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]propan-1-ol
SMILESCCC(O)c1cc2ccccc2nc1N1CCN(C)CC1
InChIInChI=1S/C17H23N3O/c1-3-16(21)14-12-13-6-4-5-7-15(13)18-17(14)20-10-8-19(2)9-11-20/h4-7,12,16,21H,3,8-11H2,1-2H3
InChIKeyFIPKYETZKKZSFY-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.43
Rot. Bonds3

About 1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]propan-1-ol

1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]propan-1-ol (PubChem CID 90273343) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]propan-1-ol
PubChem CID90273343
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]propan-1-ol
SMILESCCC(O)c1cc2ccccc2nc1N1CCN(C)CC1
InChIInChI=1S/C17H23N3O/c1-3-16(21)14-12-13-6-4-5-7-15(13)18-17(14)20-10-8-19(2)9-11-20/h4-7,12,16,21H,3,8-11H2,1-2H3
InChIKeyFIPKYETZKKZSFY-UHFFFAOYSA-N
XLogP2.43
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]propan-1-ol?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]propan-1-ol (CID 90273343) is 1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]propan-1-ol.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]propan-1-ol?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]propan-1-ol is CCC(O)c1cc2ccccc2nc1N1CCN(C)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]propan-1-ol?
The InChIKey is FIPKYETZKKZSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-16(21)14-12-13-6-4-5-7-15(13)18-17(14)20-10-8-19(2)9-11-20/h4-7,12,16,21H,3,8-11H2,1-2H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]propan-1-ol?
1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]propan-1-ol has a molecular weight of 285.39 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]propan-1-ol is sourced from PubChem (CID 90273343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).