2-(2-quinolin-2-ylethyl)-1,10-phenanthroline;hydrochloride

C23H18ClN3 — CID 70116348

IUPAC2-(2-quinolin-2-ylethyl)-1,10-phenanthroline;hydrochloride
SMILESCl.c1ccc2nc(CCc3ccc4ccc5cccnc5c4n3)ccc2c1
InChIInChI=1S/C23H17N3.ClH/c1-2-6-21-16(4-1)9-11-19(25-21)13-14-20-12-10-18-8-7-17-5-3-15-24-22(17)23(18)26-20;/h1-12,15H,13-14H2;1H
InChIKeyJCATYAWOGNPQNT-UHFFFAOYSA-N
MW371.87 g/mol
LogP5.54
Rot. Bonds3

About 2-(2-quinolin-2-ylethyl)-1,10-phenanthroline;hydrochloride

2-(2-quinolin-2-ylethyl)-1,10-phenanthroline;hydrochloride (PubChem CID 70116348) has the molecular formula C23H18ClN3 and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-(2-quinolin-2-ylethyl)-1,10-phenanthroline;hydrochloride.

Molecular Properties

Compound Name2-(2-quinolin-2-ylethyl)-1,10-phenanthroline;hydrochloride
PubChem CID70116348
Molecular FormulaC23H18ClN3
Molecular Weight371.87 g/mol
Exact Mass371.12
IUPAC Name2-(2-quinolin-2-ylethyl)-1,10-phenanthroline;hydrochloride
SMILESCl.c1ccc2nc(CCc3ccc4ccc5cccnc5c4n3)ccc2c1
InChIInChI=1S/C23H17N3.ClH/c1-2-6-21-16(4-1)9-11-19(25-21)13-14-20-12-10-18-8-7-17-5-3-15-24-22(17)23(18)26-20;/h1-12,15H,13-14H2;1H
InChIKeyJCATYAWOGNPQNT-UHFFFAOYSA-N
XLogP5.54
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.87
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-heptyl-1,10-phenanthroline
CID 150280165
2-(2-quinolin-2-ylethyl)phenol;hydrochloride
CID 90025480
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
2-(10-quinolin-2-yldecyl)quinoline;hydrate
CID 144702573
3-quinolin-2-ylpropan-1-ol;dihydrochloride
CID 175501927
2-(iodomethyl)quinoline
CID 19432604

Frequently Asked Questions

What is the IUPAC name of 2-(2-quinolin-2-ylethyl)-1,10-phenanthroline;hydrochloride?
The IUPAC name of 2-(2-quinolin-2-ylethyl)-1,10-phenanthroline;hydrochloride (CID 70116348) is 2-(2-quinolin-2-ylethyl)-1,10-phenanthroline;hydrochloride.
What is the SMILES notation for 2-(2-quinolin-2-ylethyl)-1,10-phenanthroline;hydrochloride?
The canonical SMILES for 2-(2-quinolin-2-ylethyl)-1,10-phenanthroline;hydrochloride is Cl.c1ccc2nc(CCc3ccc4ccc5cccnc5c4n3)ccc2c1.
What is the InChIKey of 2-(2-quinolin-2-ylethyl)-1,10-phenanthroline;hydrochloride?
The InChIKey is JCATYAWOGNPQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3.ClH/c1-2-6-21-16(4-1)9-11-19(25-21)13-14-20-12-10-18-8-7-17-5-3-15-24-22(17)23(18)26-20;/h1-12,15H,13-14H2;1H.
What are the key properties of 2-(2-quinolin-2-ylethyl)-1,10-phenanthroline;hydrochloride?
2-(2-quinolin-2-ylethyl)-1,10-phenanthroline;hydrochloride has a molecular weight of 371.87 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-quinolin-2-ylethyl)-1,10-phenanthroline;hydrochloride is sourced from PubChem (CID 70116348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).