2-(6-aminoquinolin-2-yl)-1-pyrrolidin-1-ylethanone

C15H17N3O — CID 82547452

IUPAC2-(6-aminoquinolin-2-yl)-1-pyrrolidin-1-ylethanone
SMILESNc1ccc2nc(CC(=O)N3CCCC3)ccc2c1
InChIInChI=1S/C15H17N3O/c16-12-4-6-14-11(9-12)3-5-13(17-14)10-15(19)18-7-1-2-8-18/h3-6,9H,1-2,7-8,10,16H2
InChIKeyQLWQQRKXNJCFFU-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.98
Rot. Bonds2

About 2-(6-aminoquinolin-2-yl)-1-pyrrolidin-1-ylethanone

2-(6-aminoquinolin-2-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 82547452) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(6-aminoquinolin-2-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(6-aminoquinolin-2-yl)-1-pyrrolidin-1-ylethanone
PubChem CID82547452
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-(6-aminoquinolin-2-yl)-1-pyrrolidin-1-ylethanone
SMILESNc1ccc2nc(CC(=O)N3CCCC3)ccc2c1
InChIInChI=1S/C15H17N3O/c16-12-4-6-14-11(9-12)3-5-13(17-14)10-15(19)18-7-1-2-8-18/h3-6,9H,1-2,7-8,10,16H2
InChIKeyQLWQQRKXNJCFFU-UHFFFAOYSA-N
XLogP1.98
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6-aminoquinolin-2-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 110451190
2-(6-fluoroquinolin-2-yl)-1-piperidin-1-ylethanone
CID 110490426
2-(6-aminoquinolin-2-yl)-N-(4-methylpiperazin-1-yl)acetamide
CID 82546933
2-(6-methylquinolin-2-yl)-1-piperazin-1-ylethanone
CID 110490371
6-amino-3-(2-oxo-2-piperidin-1-ylethyl)chromen-2-one
CID 28921
(6-aminoquinolin-2-yl)methanol
CID 22763701
2-[[2-(6-aminoquinolin-2-yl)acetyl]amino]acetic acid
CID 82547405
2-(6-aminoquinolin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 82547456
2-(6-pyrrolidin-1-ylquinolin-2-yl)acetic acid
CID 82245506
2-(6-aminoquinolin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 82547358
2-(6-aminoquinolin-2-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 82547311
2-propylquinolin-6-amine
CID 130537701

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminoquinolin-2-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(6-aminoquinolin-2-yl)-1-pyrrolidin-1-ylethanone (CID 82547452) is 2-(6-aminoquinolin-2-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(6-aminoquinolin-2-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(6-aminoquinolin-2-yl)-1-pyrrolidin-1-ylethanone is Nc1ccc2nc(CC(=O)N3CCCC3)ccc2c1.
What is the InChIKey of 2-(6-aminoquinolin-2-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is QLWQQRKXNJCFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-12-4-6-14-11(9-12)3-5-13(17-14)10-15(19)18-7-1-2-8-18/h3-6,9H,1-2,7-8,10,16H2.
What are the key properties of 2-(6-aminoquinolin-2-yl)-1-pyrrolidin-1-ylethanone?
2-(6-aminoquinolin-2-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 255.32 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminoquinolin-2-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 82547452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).