[3-(dimethylamino)propylamino] quinoline-3-carboxylate

C15H19N3O2 — CID 140615069

IUPAC[3-(dimethylamino)propylamino] quinoline-3-carboxylate
SMILESCN(C)CCCNOC(=O)c1cnc2ccccc2c1
InChIInChI=1S/C15H19N3O2/c1-18(2)9-5-8-17-20-15(19)13-10-12-6-3-4-7-14(12)16-11-13/h3-4,6-7,10-11,17H,5,8-9H2,1-2H3
InChIKeyPMIZKRQEOAFVFW-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.85
Rot. Bonds6

About [3-(dimethylamino)propylamino] quinoline-3-carboxylate

[3-(dimethylamino)propylamino] quinoline-3-carboxylate (PubChem CID 140615069) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is [3-(dimethylamino)propylamino] quinoline-3-carboxylate.

Molecular Properties

Compound Name[3-(dimethylamino)propylamino] quinoline-3-carboxylate
PubChem CID140615069
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name[3-(dimethylamino)propylamino] quinoline-3-carboxylate
SMILESCN(C)CCCNOC(=O)c1cnc2ccccc2c1
InChIInChI=1S/C15H19N3O2/c1-18(2)9-5-8-17-20-15(19)13-10-12-6-3-4-7-14(12)16-11-13/h3-4,6-7,10-11,17H,5,8-9H2,1-2H3
InChIKeyPMIZKRQEOAFVFW-UHFFFAOYSA-N
XLogP1.85
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

butyl quinoline-3-carboxylate
CID 54753708
N-(2-methoxyethyl)quinoline-3-carboxamide
CID 110694742
N-[2-(2-hydroxyethoxy)ethyl]quinoline-3-carboxamide
CID 110489496
prop-2-enyl quinoline-3-carboxylate
CID 54359165
N-(5-hydroxypentyl)quinoline-3-carboxamide
CID 110489508
bis(quinoline-3-carbonyl) (E)-but-2-enedioate
CID 174526131
ethyl 3-oxo-3-quinolin-3-ylpropanoate
CID 22925293
N-tert-butyl-N-methylpentan-1-amine;quinoline-3-carboxylic acid
CID 174934752
quinoline-3-carboxylate
CID 4608508
cyclopentyl quinoline-3-carboxylate
CID 91372569
(2-carbamoylphenyl) quinoline-3-carboxylate
CID 139568537
3,3-dimethyl-1-quinolin-3-ylbutan-1-one
CID 63892352

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)propylamino] quinoline-3-carboxylate?
The IUPAC name of [3-(dimethylamino)propylamino] quinoline-3-carboxylate (CID 140615069) is [3-(dimethylamino)propylamino] quinoline-3-carboxylate.
What is the SMILES notation for [3-(dimethylamino)propylamino] quinoline-3-carboxylate?
The canonical SMILES for [3-(dimethylamino)propylamino] quinoline-3-carboxylate is CN(C)CCCNOC(=O)c1cnc2ccccc2c1.
What is the InChIKey of [3-(dimethylamino)propylamino] quinoline-3-carboxylate?
The InChIKey is PMIZKRQEOAFVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18(2)9-5-8-17-20-15(19)13-10-12-6-3-4-7-14(12)16-11-13/h3-4,6-7,10-11,17H,5,8-9H2,1-2H3.
What are the key properties of [3-(dimethylamino)propylamino] quinoline-3-carboxylate?
[3-(dimethylamino)propylamino] quinoline-3-carboxylate has a molecular weight of 273.34 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)propylamino] quinoline-3-carboxylate is sourced from PubChem (CID 140615069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).