2-(2,6-dimethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline

C24H17N5O2 — CID 86297884

IUPAC2-(2,6-dimethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESCOc1ccc2nc(OC)c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2c1
InChIInChI=1S/C24H17N5O2/c1-30-14-7-8-18-13(11-14)12-17(24(27-18)31-2)23-28-21-15-5-3-9-25-19(15)20-16(22(21)29-23)6-4-10-26-20/h3-12H,1-2H3,(H,28,29)
InChIKeyWPXVJPJMNXVXBC-UHFFFAOYSA-N
MW407.43 g/mol
LogP4.89
Rot. Bonds3

About 2-(2,6-dimethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline

2-(2,6-dimethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 86297884) has the molecular formula C24H17N5O2 and a molecular weight of 407.43 g/mol. Its IUPAC name is 2-(2,6-dimethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Name2-(2,6-dimethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
PubChem CID86297884
Molecular FormulaC24H17N5O2
Molecular Weight407.43 g/mol
Exact Mass407.14
IUPAC Name2-(2,6-dimethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESCOc1ccc2nc(OC)c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2c1
InChIInChI=1S/C24H17N5O2/c1-30-14-7-8-18-13(11-14)12-17(24(27-18)31-2)23-28-21-15-5-3-9-25-19(15)20-16(22(21)29-23)6-4-10-26-20/h3-12H,1-2H3,(H,28,29)
InChIKeyWPXVJPJMNXVXBC-UHFFFAOYSA-N
XLogP4.89
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2,6-dimethoxyphenol
CID 136776464
2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methoxyphenol
CID 135589912
2-(2-methoxy-4-octadecoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 10974012
2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethylaniline
CID 175822709
3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one
CID 86297686
2-[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]-N,N-dimethylethanamine
CID 71533939
2-(2-ethynylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 166691371
2-(3,5-difluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 102048569
methyl 4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoate
CID 102508548
2-cyclopenta-1,3-dien-1-yl-1H-imidazo[4,5-f][1,10]phenanthroline
CID 101473917
2-(4-methylphenoxy)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 46866550
2-(3-chlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 15376894

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of 2-(2,6-dimethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline (CID 86297884) is 2-(2,6-dimethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for 2-(2,6-dimethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for 2-(2,6-dimethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline is COc1ccc2nc(OC)c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2c1.
What is the InChIKey of 2-(2,6-dimethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is WPXVJPJMNXVXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O2/c1-30-14-7-8-18-13(11-14)12-17(24(27-18)31-2)23-28-21-15-5-3-9-25-19(15)20-16(22(21)29-23)6-4-10-26-20/h3-12H,1-2H3,(H,28,29).
What are the key properties of 2-(2,6-dimethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?
2-(2,6-dimethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 407.43 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 86297884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).