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

C19H15N3O2 — CID 70160716

IUPAC7-[1-(1H-indol-3-yl)ethylamino]quinoline-5,8-dione
SMILESCC(NC1=CC(=O)c2cccnc2C1=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H15N3O2/c1-11(14-10-21-15-7-3-2-5-12(14)15)22-16-9-17(23)13-6-4-8-20-18(13)19(16)24/h2-11,21-22H,1H3
InChIKeyUJEVABOYKFSFEX-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.18
Rot. Bonds3

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

7-[1-(1H-indol-3-yl)ethylamino]quinoline-5,8-dione (PubChem CID 70160716) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 7-[1-(1H-indol-3-yl)ethylamino]quinoline-5,8-dione.

Molecular Properties

Compound Name7-[1-(1H-indol-3-yl)ethylamino]quinoline-5,8-dione
PubChem CID70160716
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name7-[1-(1H-indol-3-yl)ethylamino]quinoline-5,8-dione
SMILESCC(NC1=CC(=O)c2cccnc2C1=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H15N3O2/c1-11(14-10-21-15-7-3-2-5-12(14)15)22-16-9-17(23)13-6-4-8-20-18(13)19(16)24/h2-11,21-22H,1H3
InChIKeyUJEVABOYKFSFEX-UHFFFAOYSA-N
XLogP3.18
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-(prop-1-en-2-ylamino)quinoline-5,8-dione
CID 146506137
4-N-[1-(1H-indol-3-yl)ethyl]pyridine-3,4-diamine
CID 23619530
3-propan-2-yl-1H-indole
CID 12534824
2-[(S)-1H-indol-3-yl(phenyl)methyl]indene-1,3-dione
CID 129384522
methyl 2-(1H-indol-3-yl)pyridine-3-carboxylate
CID 15287367
1-chloro-1-(1H-indol-3-yl)-N-methylmethanamine
CID 116962085
4,7-phenanthroline-5,6-dione
CID 6764
tert-butyl N-[(1S)-1-(1H-indol-3-yl)ethyl]carbamate
CID 102157867
2-[(4-fluorophenyl)-(1H-indol-3-yl)methyl]indene-1,3-dione
CID 102496981
O-methyl 2-(1H-indol-3-yl)propanethioate
CID 175999824
2-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
CID 116848099
phenanthro[9,10-g]quinoline-9,14-dione
CID 71437214

Frequently Asked Questions

What is the IUPAC name of 7-[1-(1H-indol-3-yl)ethylamino]quinoline-5,8-dione?
The IUPAC name of 7-[1-(1H-indol-3-yl)ethylamino]quinoline-5,8-dione (CID 70160716) is 7-[1-(1H-indol-3-yl)ethylamino]quinoline-5,8-dione.
What is the SMILES notation for 7-[1-(1H-indol-3-yl)ethylamino]quinoline-5,8-dione?
The canonical SMILES for 7-[1-(1H-indol-3-yl)ethylamino]quinoline-5,8-dione is CC(NC1=CC(=O)c2cccnc2C1=O)c1c[nH]c2ccccc12.
What is the InChIKey of 7-[1-(1H-indol-3-yl)ethylamino]quinoline-5,8-dione?
The InChIKey is UJEVABOYKFSFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-11(14-10-21-15-7-3-2-5-12(14)15)22-16-9-17(23)13-6-4-8-20-18(13)19(16)24/h2-11,21-22H,1H3.
What are the key properties of 7-[1-(1H-indol-3-yl)ethylamino]quinoline-5,8-dione?
7-[1-(1H-indol-3-yl)ethylamino]quinoline-5,8-dione has a molecular weight of 317.35 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(1H-indol-3-yl)ethylamino]quinoline-5,8-dione is sourced from PubChem (CID 70160716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).