2-[(6-aminoquinolin-2-yl)-methylamino]-N-cyclopropylacetamide

C15H18N4O — CID 43577856

IUPAC2-[(6-aminoquinolin-2-yl)-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)c1ccc2cc(N)ccc2n1
InChIInChI=1S/C15H18N4O/c1-19(9-15(20)17-12-4-5-12)14-7-2-10-8-11(16)3-6-13(10)18-14/h2-3,6-8,12H,4-5,9,16H2,1H3,(H,17,20)
InChIKeyQXGCZARPTVOUMT-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.53
Rot. Bonds4

About 2-[(6-aminoquinolin-2-yl)-methylamino]-N-cyclopropylacetamide

2-[(6-aminoquinolin-2-yl)-methylamino]-N-cyclopropylacetamide (PubChem CID 43577856) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-[(6-aminoquinolin-2-yl)-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(6-aminoquinolin-2-yl)-methylamino]-N-cyclopropylacetamide
PubChem CID43577856
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-[(6-aminoquinolin-2-yl)-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)c1ccc2cc(N)ccc2n1
InChIInChI=1S/C15H18N4O/c1-19(9-15(20)17-12-4-5-12)14-7-2-10-8-11(16)3-6-13(10)18-14/h2-3,6-8,12H,4-5,9,16H2,1H3,(H,17,20)
InChIKeyQXGCZARPTVOUMT-UHFFFAOYSA-N
XLogP1.53
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.53
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

2-[(6-aminoquinolin-2-yl)-methylamino]-N,N-dimethylacetamide
CID 43451019
2-(5-amino-N,2-dimethylanilino)-N-cyclopropylacetamide
CID 62588683
2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide
CID 80820565
2-[(5-aminopyrimidin-2-yl)-methylamino]-N-cyclopropylacetamide
CID 61145458
2-(3-amino-N-methylanilino)-N-(oxan-4-yl)acetamide
CID 63098177
2-N-cycloheptyl-2-N-methylquinoline-2,6-diamine
CID 43613779
N-cyclopropyl-2-(4-formyl-N,3-dimethylanilino)acetamide
CID 62135938
2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 43574823
N-cyclopropyl-2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80960767
N-cyclopropyl-2-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]acetamide
CID 106775558
N-cyclopropyl-2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)-methylamino]acetamide
CID 80947351
2-(4-tert-butyl-N-methylanilino)-N-cyclopropylacetamide
CID 60561239

Frequently Asked Questions

What is the IUPAC name of 2-[(6-aminoquinolin-2-yl)-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(6-aminoquinolin-2-yl)-methylamino]-N-cyclopropylacetamide (CID 43577856) is 2-[(6-aminoquinolin-2-yl)-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(6-aminoquinolin-2-yl)-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(6-aminoquinolin-2-yl)-methylamino]-N-cyclopropylacetamide is CN(CC(=O)NC1CC1)c1ccc2cc(N)ccc2n1.
What is the InChIKey of 2-[(6-aminoquinolin-2-yl)-methylamino]-N-cyclopropylacetamide?
The InChIKey is QXGCZARPTVOUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-19(9-15(20)17-12-4-5-12)14-7-2-10-8-11(16)3-6-13(10)18-14/h2-3,6-8,12H,4-5,9,16H2,1H3,(H,17,20).
What are the key properties of 2-[(6-aminoquinolin-2-yl)-methylamino]-N-cyclopropylacetamide?
2-[(6-aminoquinolin-2-yl)-methylamino]-N-cyclopropylacetamide has a molecular weight of 270.34 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-aminoquinolin-2-yl)-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 43577856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).