2-[(5-aminoquinolin-8-yl)-methylamino]-1-pyrrolidin-1-ylethanone

C16H20N4O — CID 61438533

IUPAC2-[(5-aminoquinolin-8-yl)-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)c1ccc(N)c2cccnc12
InChIInChI=1S/C16H20N4O/c1-19(11-15(21)20-9-2-3-10-20)14-7-6-13(17)12-5-4-8-18-16(12)14/h4-8H,2-3,9-11,17H2,1H3
InChIKeyFHVKRLJNSINOOZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.88
Rot. Bonds3

About 2-[(5-aminoquinolin-8-yl)-methylamino]-1-pyrrolidin-1-ylethanone

2-[(5-aminoquinolin-8-yl)-methylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 61438533) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[(5-aminoquinolin-8-yl)-methylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(5-aminoquinolin-8-yl)-methylamino]-1-pyrrolidin-1-ylethanone
PubChem CID61438533
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-[(5-aminoquinolin-8-yl)-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)c1ccc(N)c2cccnc12
InChIInChI=1S/C16H20N4O/c1-19(11-15(21)20-9-2-3-10-20)14-7-6-13(17)12-5-4-8-18-16(12)14/h4-8H,2-3,9-11,17H2,1H3
InChIKeyFHVKRLJNSINOOZ-UHFFFAOYSA-N
XLogP1.88
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-N-methylanilino)-1-pyrrolidin-1-ylethanone
CID 61438205
1-(azepan-1-yl)-2-[methyl(naphthalen-1-yl)amino]ethanone
CID 60572838
2-(2-amino-4-chloro-N-methylanilino)-1-pyrrolidin-1-ylethanone
CID 61438204
3-amino-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide
CID 61438484
5-[(5-aminoquinolin-8-yl)-methylamino]pentan-1-ol
CID 107197791
8-N-methyl-8-N-(pyridin-2-ylmethyl)quinoline-5,8-diamine
CID 43564940
8-N-methyl-8-N-(2-methylsulfanylethyl)quinoline-5,8-diamine
CID 112656769
8-N-methyl-8-N-[(4-methylphenyl)methyl]quinoline-5,8-diamine
CID 43450085
2-[2-(aminomethyl)-3-chloro-N-methylanilino]-1-pyrrolidin-1-ylethanone
CID 61441999
2-[(5-aminopyrimidin-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 61438253
2-[(5-aminoquinolin-6-yl)-methylamino]-N,N-dimethylacetamide
CID 43809689
8-N-methyl-8-N-(2-propan-2-yloxyethyl)quinoline-5,8-diamine
CID 81059066

Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminoquinolin-8-yl)-methylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(5-aminoquinolin-8-yl)-methylamino]-1-pyrrolidin-1-ylethanone (CID 61438533) is 2-[(5-aminoquinolin-8-yl)-methylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(5-aminoquinolin-8-yl)-methylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(5-aminoquinolin-8-yl)-methylamino]-1-pyrrolidin-1-ylethanone is CN(CC(=O)N1CCCC1)c1ccc(N)c2cccnc12.
What is the InChIKey of 2-[(5-aminoquinolin-8-yl)-methylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is FHVKRLJNSINOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-19(11-15(21)20-9-2-3-10-20)14-7-6-13(17)12-5-4-8-18-16(12)14/h4-8H,2-3,9-11,17H2,1H3.
What are the key properties of 2-[(5-aminoquinolin-8-yl)-methylamino]-1-pyrrolidin-1-ylethanone?
2-[(5-aminoquinolin-8-yl)-methylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 284.36 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminoquinolin-8-yl)-methylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 61438533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).