2-(2-quinolin-2-ylethyl)-3H-benzo[g]indole

C23H18N2 — CID 158162611

IUPAC2-(2-quinolin-2-ylethyl)-3H-benzo[g]indole
SMILESc1ccc2nc(CCC3=Nc4c(ccc5ccccc45)C3)ccc2c1
InChIInChI=1S/C23H18N2/c1-3-7-21-16(5-1)9-10-18-15-20(25-23(18)21)14-13-19-12-11-17-6-2-4-8-22(17)24-19/h1-12H,13-15H2
InChIKeyYXOBPFVPDAASCJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP5.65
Rot. Bonds3

About 2-(2-quinolin-2-ylethyl)-3H-benzo[g]indole

2-(2-quinolin-2-ylethyl)-3H-benzo[g]indole (PubChem CID 158162611) has the molecular formula C23H18N2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(2-quinolin-2-ylethyl)-3H-benzo[g]indole.

Molecular Properties

Compound Name2-(2-quinolin-2-ylethyl)-3H-benzo[g]indole
PubChem CID158162611
Molecular FormulaC23H18N2
Molecular Weight322.41 g/mol
Exact Mass322.15
IUPAC Name2-(2-quinolin-2-ylethyl)-3H-benzo[g]indole
SMILESc1ccc2nc(CCC3=Nc4c(ccc5ccccc45)C3)ccc2c1
InChIInChI=1S/C23H18N2/c1-3-7-21-16(5-1)9-10-18-15-20(25-23(18)21)14-13-19-12-11-17-6-2-4-8-22(17)24-19/h1-12H,13-15H2
InChIKeyYXOBPFVPDAASCJ-UHFFFAOYSA-N
XLogP5.65
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-methylnaphthalen-1-yl)ethyl]quinoline
CID 57166533
2-tert-butyl-3H-benzo[g]indole
CID 58793851
2-(10-quinolin-2-yldecyl)quinoline;hydrate
CID 144702573
2-[2-(3H-indol-2-yl)ethyl]quinoxaline
CID 157294886
2-(2-quinolin-2-ylethyl)phenol;hydrochloride
CID 90025480
N,N-dimethyl-3-quinolin-2-ylpropanamide
CID 110464890
CID 89210421
CID 89210421
2-(2-methoxyethyl)quinoline
CID 129321824
O-(2-quinolin-2-ylethyl)hydroxylamine
CID 119091598
3-quinolin-2-ylpropan-1-ol;dihydrochloride
CID 175501927
2-[2-(oxiran-2-yl)ethyl]quinoline
CID 115410457
2-(iodomethyl)quinoline
CID 19432604

Frequently Asked Questions

What is the IUPAC name of 2-(2-quinolin-2-ylethyl)-3H-benzo[g]indole?
The IUPAC name of 2-(2-quinolin-2-ylethyl)-3H-benzo[g]indole (CID 158162611) is 2-(2-quinolin-2-ylethyl)-3H-benzo[g]indole.
What is the SMILES notation for 2-(2-quinolin-2-ylethyl)-3H-benzo[g]indole?
The canonical SMILES for 2-(2-quinolin-2-ylethyl)-3H-benzo[g]indole is c1ccc2nc(CCC3=Nc4c(ccc5ccccc45)C3)ccc2c1.
What is the InChIKey of 2-(2-quinolin-2-ylethyl)-3H-benzo[g]indole?
The InChIKey is YXOBPFVPDAASCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2/c1-3-7-21-16(5-1)9-10-18-15-20(25-23(18)21)14-13-19-12-11-17-6-2-4-8-22(17)24-19/h1-12H,13-15H2.
What are the key properties of 2-(2-quinolin-2-ylethyl)-3H-benzo[g]indole?
2-(2-quinolin-2-ylethyl)-3H-benzo[g]indole has a molecular weight of 322.41 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-quinolin-2-ylethyl)-3H-benzo[g]indole is sourced from PubChem (CID 158162611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).