1-(8-aminoquinolin-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide

C16H20N4O — CID 106317610

IUPAC1-(8-aminoquinolin-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2ccc(N)c3ncccc23)C1
InChIInChI=1S/C16H20N4O/c1-16(15(21)18-2)7-9-20(10-16)13-6-5-12(17)14-11(13)4-3-8-19-14/h3-6,8H,7,9-10,17H2,1-2H3,(H,18,21)
InChIKeyGRSNRDLVTIADBR-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.78
Rot. Bonds2

About 1-(8-aminoquinolin-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(8-aminoquinolin-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106317610) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(8-aminoquinolin-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(8-aminoquinolin-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106317610
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-(8-aminoquinolin-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2ccc(N)c3ncccc23)C1
InChIInChI=1S/C16H20N4O/c1-16(15(21)18-2)7-9-20(10-16)13-6-5-12(17)14-11(13)4-3-8-19-14/h3-6,8H,7,9-10,17H2,1-2H3,(H,18,21)
InChIKeyGRSNRDLVTIADBR-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-cyano-3-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318434
3-amino-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]benzoic acid
CID 106321390
1-(2-amino-4-sulfamoylphenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317628
1-(2-amino-5-cyanophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317647
5-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-8-amine
CID 43581386
1-(2-aminoquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322406
1-[4-(aminomethyl)-2-methylphenyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106319231
1-(8-aminoquinolin-5-yl)piperidin-4-ol
CID 43382826
1-[4-chloro-2-(hydroxymethyl)phenyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106319086
1-(3-amino-5-bromo-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317398
5-amino-6-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 106321433
1-(6-amino-2,3-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317572

Frequently Asked Questions

What is the IUPAC name of 1-(8-aminoquinolin-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(8-aminoquinolin-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106317610) is 1-(8-aminoquinolin-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(8-aminoquinolin-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(8-aminoquinolin-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(c2ccc(N)c3ncccc23)C1.
What is the InChIKey of 1-(8-aminoquinolin-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is GRSNRDLVTIADBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-16(15(21)18-2)7-9-20(10-16)13-6-5-12(17)14-11(13)4-3-8-19-14/h3-6,8H,7,9-10,17H2,1-2H3,(H,18,21).
What are the key properties of 1-(8-aminoquinolin-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(8-aminoquinolin-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-aminoquinolin-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106317610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).