4-(3-propoxypiperidin-1-yl)quinolin-3-amine

C17H23N3O — CID 103963084

IUPAC4-(3-propoxypiperidin-1-yl)quinolin-3-amine
SMILESCCCOC1CCCN(c2c(N)cnc3ccccc23)C1
InChIInChI=1S/C17H23N3O/c1-2-10-21-13-6-5-9-20(12-13)17-14-7-3-4-8-16(14)19-11-15(17)18/h3-4,7-8,11,13H,2,5-6,9-10,12,18H2,1H3
InChIKeyNXQATOUIVAIIIU-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.21
Rot. Bonds4

About 4-(3-propoxypiperidin-1-yl)quinolin-3-amine

4-(3-propoxypiperidin-1-yl)quinolin-3-amine (PubChem CID 103963084) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-(3-propoxypiperidin-1-yl)quinolin-3-amine.

Molecular Properties

Compound Name4-(3-propoxypiperidin-1-yl)quinolin-3-amine
PubChem CID103963084
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-(3-propoxypiperidin-1-yl)quinolin-3-amine
SMILESCCCOC1CCCN(c2c(N)cnc3ccccc23)C1
InChIInChI=1S/C17H23N3O/c1-2-10-21-13-6-5-9-20(12-13)17-14-7-3-4-8-16(14)19-11-15(17)18/h3-4,7-8,11,13H,2,5-6,9-10,12,18H2,1H3
InChIKeyNXQATOUIVAIIIU-UHFFFAOYSA-N
XLogP3.21
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-propoxypiperidin-1-yl)quinolin-3-amine?
The IUPAC name of 4-(3-propoxypiperidin-1-yl)quinolin-3-amine (CID 103963084) is 4-(3-propoxypiperidin-1-yl)quinolin-3-amine.
What is the SMILES notation for 4-(3-propoxypiperidin-1-yl)quinolin-3-amine?
The canonical SMILES for 4-(3-propoxypiperidin-1-yl)quinolin-3-amine is CCCOC1CCCN(c2c(N)cnc3ccccc23)C1.
What is the InChIKey of 4-(3-propoxypiperidin-1-yl)quinolin-3-amine?
The InChIKey is NXQATOUIVAIIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-10-21-13-6-5-9-20(12-13)17-14-7-3-4-8-16(14)19-11-15(17)18/h3-4,7-8,11,13H,2,5-6,9-10,12,18H2,1H3.
What are the key properties of 4-(3-propoxypiperidin-1-yl)quinolin-3-amine?
4-(3-propoxypiperidin-1-yl)quinolin-3-amine has a molecular weight of 285.39 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propoxypiperidin-1-yl)quinolin-3-amine is sourced from PubChem (CID 103963084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).