2-(8-ethylquinolin-5-yl)-1,10-phenanthroline

C23H17N3 — CID 145451181

IUPAC2-(8-ethylquinolin-5-yl)-1,10-phenanthroline
SMILESCCc1ccc(-c2ccc3ccc4cccnc4c3n2)c2cccnc12
InChIInChI=1S/C23H17N3/c1-2-15-9-11-18(19-6-4-14-24-21(15)19)20-12-10-17-8-7-16-5-3-13-25-22(16)23(17)26-20/h3-14H,2H2,1H3
InChIKeyYQVDXGSRHZEMSI-UHFFFAOYSA-N
MW335.41 g/mol
LogP5.56
Rot. Bonds2

About 2-(8-ethylquinolin-5-yl)-1,10-phenanthroline

2-(8-ethylquinolin-5-yl)-1,10-phenanthroline (PubChem CID 145451181) has the molecular formula C23H17N3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(8-ethylquinolin-5-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(8-ethylquinolin-5-yl)-1,10-phenanthroline
PubChem CID145451181
Molecular FormulaC23H17N3
Molecular Weight335.41 g/mol
Exact Mass335.14
IUPAC Name2-(8-ethylquinolin-5-yl)-1,10-phenanthroline
SMILESCCc1ccc(-c2ccc3ccc4cccnc4c3n2)c2cccnc12
InChIInChI=1S/C23H17N3/c1-2-15-9-11-18(19-6-4-14-24-21(15)19)20-12-10-17-8-7-16-5-3-13-25-22(16)23(17)26-20/h3-14H,2H2,1H3
InChIKeyYQVDXGSRHZEMSI-UHFFFAOYSA-N
XLogP5.56
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.41
LogP ≤ 55.56
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-naphthalen-1-yl-9-quinolin-8-yl-1,10-phenanthroline
CID 134167279
2-(4-isoquinolin-1-ylnaphthalen-1-yl)-1,10-phenanthroline
CID 118885832
2-(4-bromonaphthalen-1-yl)-1,10-phenanthroline
CID 118861987
2-[5-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 145221325
2-[4-(4-bromophenyl)naphthalen-1-yl]-1,10-phenanthroline
CID 164519373
2-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 118885827
7-[5-(1,10-phenanthrolin-2-yl)quinolin-8-yl]benzo[b][1,10]phenanthroline
CID 139445698
2-[4-[4-(5-phenylthiophen-2-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
CID 166508990
2-[4-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 145221304
4-ethyl-2-methyl-1,10-phenanthroline
CID 71021976
2-[4-[4-(5-naphthalen-1-ylfuran-2-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
CID 166509123
2,9-bis[3-diethylphosphoryl-5-(1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 118445514

Frequently Asked Questions

What is the IUPAC name of 2-(8-ethylquinolin-5-yl)-1,10-phenanthroline?
The IUPAC name of 2-(8-ethylquinolin-5-yl)-1,10-phenanthroline (CID 145451181) is 2-(8-ethylquinolin-5-yl)-1,10-phenanthroline.
What is the SMILES notation for 2-(8-ethylquinolin-5-yl)-1,10-phenanthroline?
The canonical SMILES for 2-(8-ethylquinolin-5-yl)-1,10-phenanthroline is CCc1ccc(-c2ccc3ccc4cccnc4c3n2)c2cccnc12.
What is the InChIKey of 2-(8-ethylquinolin-5-yl)-1,10-phenanthroline?
The InChIKey is YQVDXGSRHZEMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3/c1-2-15-9-11-18(19-6-4-14-24-21(15)19)20-12-10-17-8-7-16-5-3-13-25-22(16)23(17)26-20/h3-14H,2H2,1H3.
What are the key properties of 2-(8-ethylquinolin-5-yl)-1,10-phenanthroline?
2-(8-ethylquinolin-5-yl)-1,10-phenanthroline has a molecular weight of 335.41 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-ethylquinolin-5-yl)-1,10-phenanthroline is sourced from PubChem (CID 145451181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).