3-[4-(6-methylquinolin-2-yl)piperazin-1-yl]propan-1-amine

C17H24N4 — CID 82166206

IUPAC3-[4-(6-methylquinolin-2-yl)piperazin-1-yl]propan-1-amine
SMILESCc1ccc2nc(N3CCN(CCCN)CC3)ccc2c1
InChIInChI=1S/C17H24N4/c1-14-3-5-16-15(13-14)4-6-17(19-16)21-11-9-20(10-12-21)8-2-7-18/h3-6,13H,2,7-12,18H2,1H3
InChIKeyJKRSFJBCGAFJCX-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.01
Rot. Bonds4

About 3-[4-(6-methylquinolin-2-yl)piperazin-1-yl]propan-1-amine

3-[4-(6-methylquinolin-2-yl)piperazin-1-yl]propan-1-amine (PubChem CID 82166206) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 3-[4-(6-methylquinolin-2-yl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(6-methylquinolin-2-yl)piperazin-1-yl]propan-1-amine
PubChem CID82166206
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name3-[4-(6-methylquinolin-2-yl)piperazin-1-yl]propan-1-amine
SMILESCc1ccc2nc(N3CCN(CCCN)CC3)ccc2c1
InChIInChI=1S/C17H24N4/c1-14-3-5-16-15(13-14)4-6-17(19-16)21-11-9-20(10-12-21)8-2-7-18/h3-6,13H,2,7-12,18H2,1H3
InChIKeyJKRSFJBCGAFJCX-UHFFFAOYSA-N
XLogP2.01
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-methylquinolin-2-yl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(6-methylquinolin-2-yl)piperazin-1-yl]propan-1-amine (CID 82166206) is 3-[4-(6-methylquinolin-2-yl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(6-methylquinolin-2-yl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(6-methylquinolin-2-yl)piperazin-1-yl]propan-1-amine is Cc1ccc2nc(N3CCN(CCCN)CC3)ccc2c1.
What is the InChIKey of 3-[4-(6-methylquinolin-2-yl)piperazin-1-yl]propan-1-amine?
The InChIKey is JKRSFJBCGAFJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-14-3-5-16-15(13-14)4-6-17(19-16)21-11-9-20(10-12-21)8-2-7-18/h3-6,13H,2,7-12,18H2,1H3.
What are the key properties of 3-[4-(6-methylquinolin-2-yl)piperazin-1-yl]propan-1-amine?
3-[4-(6-methylquinolin-2-yl)piperazin-1-yl]propan-1-amine has a molecular weight of 284.41 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-methylquinolin-2-yl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 82166206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).