1-(8-aminoquinolin-4-yl)-N-methylpiperidine-2-carboxamide

C16H20N4O — CID 83065847

IUPAC1-(8-aminoquinolin-4-yl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1ccnc2c(N)cccc12
InChIInChI=1S/C16H20N4O/c1-18-16(21)14-7-2-3-10-20(14)13-8-9-19-15-11(13)5-4-6-12(15)17/h4-6,8-9,14H,2-3,7,10,17H2,1H3,(H,18,21)
InChIKeyMFTZIDYDAMSBNC-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.92
Rot. Bonds2

About 1-(8-aminoquinolin-4-yl)-N-methylpiperidine-2-carboxamide

1-(8-aminoquinolin-4-yl)-N-methylpiperidine-2-carboxamide (PubChem CID 83065847) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(8-aminoquinolin-4-yl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(8-aminoquinolin-4-yl)-N-methylpiperidine-2-carboxamide
PubChem CID83065847
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-(8-aminoquinolin-4-yl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1ccnc2c(N)cccc12
InChIInChI=1S/C16H20N4O/c1-18-16(21)14-7-2-3-10-20(14)13-8-9-19-15-11(13)5-4-6-12(15)17/h4-6,8-9,14H,2-3,7,10,17H2,1H3,(H,18,21)
InChIKeyMFTZIDYDAMSBNC-UHFFFAOYSA-N
XLogP1.92
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(8-aminoquinolin-4-yl)-N-methylpiperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(8-aminoquinolin-4-yl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(8-aminoquinolin-4-yl)-N-methylpiperidine-2-carboxamide (CID 83065847) is 1-(8-aminoquinolin-4-yl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(8-aminoquinolin-4-yl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(8-aminoquinolin-4-yl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1c1ccnc2c(N)cccc12.
What is the InChIKey of 1-(8-aminoquinolin-4-yl)-N-methylpiperidine-2-carboxamide?
The InChIKey is MFTZIDYDAMSBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-18-16(21)14-7-2-3-10-20(14)13-8-9-19-15-11(13)5-4-6-12(15)17/h4-6,8-9,14H,2-3,7,10,17H2,1H3,(H,18,21).
What are the key properties of 1-(8-aminoquinolin-4-yl)-N-methylpiperidine-2-carboxamide?
1-(8-aminoquinolin-4-yl)-N-methylpiperidine-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-aminoquinolin-4-yl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 83065847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).