1-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-one

C19H20N2O — CID 1473014

IUPAC1-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-one
SMILESO=c1ccn(CCc2c[nH]c3ccccc23)c2c1CCCC2
InChIInChI=1S/C19H20N2O/c22-19-10-12-21(18-8-4-2-6-16(18)19)11-9-14-13-20-17-7-3-1-5-15(14)17/h1,3,5,7,10,12-13,20H,2,4,6,8-9,11H2
InChIKeyKPMWKSNXHKSCLS-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.45
Rot. Bonds3

About 1-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-one

1-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-one (PubChem CID 1473014) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-one.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-one
PubChem CID1473014
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name1-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-one
SMILESO=c1ccn(CCc2c[nH]c3ccccc23)c2c1CCCC2
InChIInChI=1S/C19H20N2O/c22-19-10-12-21(18-8-4-2-6-16(18)19)11-9-14-13-20-17-7-3-1-5-15(14)17/h1,3,5,7,10,12-13,20H,2,4,6,8-9,11H2
InChIKeyKPMWKSNXHKSCLS-UHFFFAOYSA-N
XLogP3.45
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-one?
The IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-one (CID 1473014) is 1-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-one.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-one?
The canonical SMILES for 1-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-one is O=c1ccn(CCc2c[nH]c3ccccc23)c2c1CCCC2.
What is the InChIKey of 1-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-one?
The InChIKey is KPMWKSNXHKSCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c22-19-10-12-21(18-8-4-2-6-16(18)19)11-9-14-13-20-17-7-3-1-5-15(14)17/h1,3,5,7,10,12-13,20H,2,4,6,8-9,11H2.
What are the key properties of 1-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-one?
1-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-one has a molecular weight of 292.38 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-one is sourced from PubChem (CID 1473014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).