7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione

C20H17N3O3 — CID 57329531

IUPAC7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione
SMILESCOc1ccc2[nH]cc(CCNC3=CC(=O)c4cccnc4C3=O)c2c1
InChIInChI=1S/C20H17N3O3/c1-26-13-4-5-16-15(9-13)12(11-23-16)6-8-21-17-10-18(24)14-3-2-7-22-19(14)20(17)25/h2-5,7,9-11,21,23H,6,8H2,1H3
InChIKeyQGKZOIOQFDMQSI-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.67
Rot. Bonds5

About 7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione

7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione (PubChem CID 57329531) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione.

Molecular Properties

Compound Name7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione
PubChem CID57329531
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione
SMILESCOc1ccc2[nH]cc(CCNC3=CC(=O)c4cccnc4C3=O)c2c1
InChIInChI=1S/C20H17N3O3/c1-26-13-4-5-16-15(9-13)12(11-23-16)6-8-21-17-10-18(24)14-3-2-7-22-19(14)20(17)25/h2-5,7,9-11,21,23H,6,8H2,1H3
InChIKeyQGKZOIOQFDMQSI-UHFFFAOYSA-N
XLogP2.67
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

2-dimethylphosphoryl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]aniline
CID 167890692
5-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine
CID 3232824
4-amino-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-methyl-1,2,4-triazin-5-one
CID 4979636
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
2-[3-(5-methoxy-1H-indol-3-yl)propyl]isoindole-1,3-dione
CID 906584
5-(1,3-benzodioxol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine
CID 3233254
7-[1-(1H-indol-3-yl)ethylamino]quinoline-5,8-dione
CID 70160716
2-bromo-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-nitroaniline
CID 24850653
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methylguanidine
CID 142888234
2-[2-[(dimethylamino)methyl]phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 3233226
3,4-dichloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 6733520
3-(2-ethoxyethyl)-5-methoxy-1H-indole
CID 167475271

Frequently Asked Questions

What is the IUPAC name of 7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione?
The IUPAC name of 7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione (CID 57329531) is 7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione.
What is the SMILES notation for 7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione?
The canonical SMILES for 7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione is COc1ccc2[nH]cc(CCNC3=CC(=O)c4cccnc4C3=O)c2c1.
What is the InChIKey of 7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione?
The InChIKey is QGKZOIOQFDMQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-26-13-4-5-16-15(9-13)12(11-23-16)6-8-21-17-10-18(24)14-3-2-7-22-19(14)20(17)25/h2-5,7,9-11,21,23H,6,8H2,1H3.
What are the key properties of 7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione?
7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione has a molecular weight of 347.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione is sourced from PubChem (CID 57329531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).