[5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-yl] N,N-dimethylcarbamate

C17H19N3O2 — CID 46863225

IUPAC[5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-yl] N,N-dimethylcarbamate
SMILESC#CCN(C)Cc1ccc(OC(=O)N(C)C)c2ncccc12
InChIInChI=1S/C17H19N3O2/c1-5-11-20(4)12-13-8-9-15(22-17(21)19(2)3)16-14(13)7-6-10-18-16/h1,6-10H,11-12H2,2-4H3
InChIKeyJWUFDSSCTMPGLI-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.36
Rot. Bonds4

About [5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-yl] N,N-dimethylcarbamate

[5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-yl] N,N-dimethylcarbamate (PubChem CID 46863225) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is [5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-yl] N,N-dimethylcarbamate
PubChem CID46863225
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name[5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-yl] N,N-dimethylcarbamate
SMILESC#CCN(C)Cc1ccc(OC(=O)N(C)C)c2ncccc12
InChIInChI=1S/C17H19N3O2/c1-5-11-20(4)12-13-8-9-15(22-17(21)19(2)3)16-14(13)7-6-10-18-16/h1,6-10H,11-12H2,2-4H3
InChIKeyJWUFDSSCTMPGLI-UHFFFAOYSA-N
XLogP2.36
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-yl] N,N-dimethylcarbamate?
The IUPAC name of [5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-yl] N,N-dimethylcarbamate (CID 46863225) is [5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-yl] N,N-dimethylcarbamate?
The canonical SMILES for [5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-yl] N,N-dimethylcarbamate is C#CCN(C)Cc1ccc(OC(=O)N(C)C)c2ncccc12.
What is the InChIKey of [5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-yl] N,N-dimethylcarbamate?
The InChIKey is JWUFDSSCTMPGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-5-11-20(4)12-13-8-9-15(22-17(21)19(2)3)16-14(13)7-6-10-18-16/h1,6-10H,11-12H2,2-4H3.
What are the key properties of [5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-yl] N,N-dimethylcarbamate?
[5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-yl] N,N-dimethylcarbamate has a molecular weight of 297.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 46863225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).