5-amino-1-[2-(1H-indol-3-yl)quinolin-4-yl]pentan-1-one

C22H21N3O — CID 59950817

IUPAC5-amino-1-[2-(1H-indol-3-yl)quinolin-4-yl]pentan-1-one
SMILESNCCCCC(=O)c1cc(-c2c[nH]c3ccccc23)nc2ccccc12
InChIInChI=1S/C22H21N3O/c23-12-6-5-11-22(26)17-13-21(25-20-10-4-2-7-15(17)20)18-14-24-19-9-3-1-8-16(18)19/h1-4,7-10,13-14,24H,5-6,11-12,23H2
InChIKeyRYVUGWYMCOAFFS-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.69
Rot. Bonds6

About 5-amino-1-[2-(1H-indol-3-yl)quinolin-4-yl]pentan-1-one

5-amino-1-[2-(1H-indol-3-yl)quinolin-4-yl]pentan-1-one (PubChem CID 59950817) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 5-amino-1-[2-(1H-indol-3-yl)quinolin-4-yl]pentan-1-one.

Molecular Properties

Compound Name5-amino-1-[2-(1H-indol-3-yl)quinolin-4-yl]pentan-1-one
PubChem CID59950817
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name5-amino-1-[2-(1H-indol-3-yl)quinolin-4-yl]pentan-1-one
SMILESNCCCCC(=O)c1cc(-c2c[nH]c3ccccc23)nc2ccccc12
InChIInChI=1S/C22H21N3O/c23-12-6-5-11-22(26)17-13-21(25-20-10-4-2-7-15(17)20)18-14-24-19-9-3-1-8-16(18)19/h1-4,7-10,13-14,24H,5-6,11-12,23H2
InChIKeyRYVUGWYMCOAFFS-UHFFFAOYSA-N
XLogP4.69
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(1H-indol-3-yl)quinolin-5-yl]propan-1-one
CID 160546260
2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
CID 59930142
6-amino-1-[2-(dibutylamino)quinolin-4-yl]hexan-1-one;hydrobromide
CID 54611938
N-[[4-[(3-aminopropanoylamino)methyl]phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
CID 18729849
1-(2-phenylquinolin-4-yl)heptan-1-one
CID 159379638
3-(1H-indol-3-yl)benzo[f]quinoline-1-carboxylate
CID 4278514
4-(dimethylamino)-1-[2-(2-methylphenyl)quinolin-4-yl]butan-1-one
CID 165107845
N-[2-[2-aminoethyl-[2-[[2-(5-bromo-1H-indol-3-yl)quinoline-4-carbonyl]amino]ethyl]amino]ethyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
CID 54086913
8-chloro-2-(1H-indol-3-yl)quinoline-4-carboxylic acid
CID 18729725
4-(dimethylamino)-1-[2-(3,4,5-trifluorophenyl)quinolin-4-yl]butan-1-one
CID 159340286
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
CID 18729868
1-(2-methylquinolin-4-yl)heptan-1-one
CID 54325185

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(1H-indol-3-yl)quinolin-4-yl]pentan-1-one?
The IUPAC name of 5-amino-1-[2-(1H-indol-3-yl)quinolin-4-yl]pentan-1-one (CID 59950817) is 5-amino-1-[2-(1H-indol-3-yl)quinolin-4-yl]pentan-1-one.
What is the SMILES notation for 5-amino-1-[2-(1H-indol-3-yl)quinolin-4-yl]pentan-1-one?
The canonical SMILES for 5-amino-1-[2-(1H-indol-3-yl)quinolin-4-yl]pentan-1-one is NCCCCC(=O)c1cc(-c2c[nH]c3ccccc23)nc2ccccc12.
What is the InChIKey of 5-amino-1-[2-(1H-indol-3-yl)quinolin-4-yl]pentan-1-one?
The InChIKey is RYVUGWYMCOAFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c23-12-6-5-11-22(26)17-13-21(25-20-10-4-2-7-15(17)20)18-14-24-19-9-3-1-8-16(18)19/h1-4,7-10,13-14,24H,5-6,11-12,23H2.
What are the key properties of 5-amino-1-[2-(1H-indol-3-yl)quinolin-4-yl]pentan-1-one?
5-amino-1-[2-(1H-indol-3-yl)quinolin-4-yl]pentan-1-one has a molecular weight of 343.43 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(1H-indol-3-yl)quinolin-4-yl]pentan-1-one is sourced from PubChem (CID 59950817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).