2-[3-(8-phenylmethoxyquinolin-5-yl)phenyl]-1,10-phenanthroline

C34H23N3O — CID 134223920

IUPAC2-[3-(8-phenylmethoxyquinolin-5-yl)phenyl]-1,10-phenanthroline
SMILESc1ccc(COc2ccc(-c3cccc(-c4ccc5ccc6cccnc6c5n4)c3)c3cccnc23)cc1
InChIInChI=1S/C34H23N3O/c1-2-7-23(8-3-1)22-38-31-18-16-28(29-12-6-20-36-34(29)31)26-9-4-10-27(21-26)30-17-15-25-14-13-24-11-5-19-35-32(24)33(25)37-30/h1-21H,22H2
InChIKeyWIYQCYJUWUBLBU-UHFFFAOYSA-N
MW489.58 g/mol
LogP8.24
Rot. Bonds5

About 2-[3-(8-phenylmethoxyquinolin-5-yl)phenyl]-1,10-phenanthroline

2-[3-(8-phenylmethoxyquinolin-5-yl)phenyl]-1,10-phenanthroline (PubChem CID 134223920) has the molecular formula C34H23N3O and a molecular weight of 489.58 g/mol. Its IUPAC name is 2-[3-(8-phenylmethoxyquinolin-5-yl)phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-[3-(8-phenylmethoxyquinolin-5-yl)phenyl]-1,10-phenanthroline
PubChem CID134223920
Molecular FormulaC34H23N3O
Molecular Weight489.58 g/mol
Exact Mass489.18
IUPAC Name2-[3-(8-phenylmethoxyquinolin-5-yl)phenyl]-1,10-phenanthroline
SMILESc1ccc(COc2ccc(-c3cccc(-c4ccc5ccc6cccnc6c5n4)c3)c3cccnc23)cc1
InChIInChI=1S/C34H23N3O/c1-2-7-23(8-3-1)22-38-31-18-16-28(29-12-6-20-36-34(29)31)26-9-4-10-27(21-26)30-17-15-25-14-13-24-11-5-19-35-32(24)33(25)37-30/h1-21H,22H2
InChIKeyWIYQCYJUWUBLBU-UHFFFAOYSA-N
XLogP8.24
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-{5-[(2S)-2-amino-3-(quinolin-3-yl)propoxy]pyridin-3-yl}isoquinoline
CID 23647000
Kryptofix 5
CID 93310
8-[2-(3-Naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct-2-en-8-yl)-ethoxy]-quinoline
CID 20595541
2-(2-Isoquinolin-7-yloxyethyl)quinoline
CID 24946059
2-((2'-(Pyridin-4-yl)biphenyl-4-yloxy)methyl)quinoline
CID 44546588
8-[3-(3,4-Dimethylphenoxy)propoxy]quinoline
CID 2291961
8-[3-(2,3,5-Trimethylphenoxy)propoxy]quinoline
CID 2899461
5-(Ethoxymethyl)-7-{[4-(2-methoxyphenyl)piperazin-1-YL]methyl}quinolin-8-OL
CID 16012796
7-{[4-(2-Methoxyphenyl)piperazin-1-yl]methyl}-5-(propoxymethyl)quinolin-8-ol
CID 16012810
7-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine
CID 44532544
7-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(4-pyridin-3-yloxyphenyl)quinolin-4-amine
CID 44532547
2-[[4-[5-Fluoro-2-(4-fluorophenyl)-3-pyridinyl]phenoxy]methyl]quinoline
CID 122196339

Frequently Asked Questions

What is the IUPAC name of 2-[3-(8-phenylmethoxyquinolin-5-yl)phenyl]-1,10-phenanthroline?
The IUPAC name of 2-[3-(8-phenylmethoxyquinolin-5-yl)phenyl]-1,10-phenanthroline (CID 134223920) is 2-[3-(8-phenylmethoxyquinolin-5-yl)phenyl]-1,10-phenanthroline.
What is the SMILES notation for 2-[3-(8-phenylmethoxyquinolin-5-yl)phenyl]-1,10-phenanthroline?
The canonical SMILES for 2-[3-(8-phenylmethoxyquinolin-5-yl)phenyl]-1,10-phenanthroline is c1ccc(COc2ccc(-c3cccc(-c4ccc5ccc6cccnc6c5n4)c3)c3cccnc23)cc1.
What is the InChIKey of 2-[3-(8-phenylmethoxyquinolin-5-yl)phenyl]-1,10-phenanthroline?
The InChIKey is WIYQCYJUWUBLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N3O/c1-2-7-23(8-3-1)22-38-31-18-16-28(29-12-6-20-36-34(29)31)26-9-4-10-27(21-26)30-17-15-25-14-13-24-11-5-19-35-32(24)33(25)37-30/h1-21H,22H2.
What are the key properties of 2-[3-(8-phenylmethoxyquinolin-5-yl)phenyl]-1,10-phenanthroline?
2-[3-(8-phenylmethoxyquinolin-5-yl)phenyl]-1,10-phenanthroline has a molecular weight of 489.58 g/mol, XLogP of 8.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(8-phenylmethoxyquinolin-5-yl)phenyl]-1,10-phenanthroline is sourced from PubChem (CID 134223920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).