4-methyl-2-[3-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]phenyl]quinoline

C22H20N4O3 — CID 155528317

IUPAC4-methyl-2-[3-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]phenyl]quinoline
SMILESCc1cc(-c2cccc(OCCn3c([N+](=O)[O-])cnc3C)c2)nc2ccccc12
InChIInChI=1S/C22H20N4O3/c1-15-12-21(24-20-9-4-3-8-19(15)20)17-6-5-7-18(13-17)29-11-10-25-16(2)23-14-22(25)26(27)28/h3-9,12-14H,10-11H2,1-2H3
InChIKeyBFZMMAQQWLTPPR-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.70
Rot. Bonds6

About 4-methyl-2-[3-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]phenyl]quinoline

4-methyl-2-[3-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]phenyl]quinoline (PubChem CID 155528317) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 4-methyl-2-[3-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]phenyl]quinoline.

Molecular Properties

Compound Name4-methyl-2-[3-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]phenyl]quinoline
PubChem CID155528317
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name4-methyl-2-[3-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]phenyl]quinoline
SMILESCc1cc(-c2cccc(OCCn3c([N+](=O)[O-])cnc3C)c2)nc2ccccc12
InChIInChI=1S/C22H20N4O3/c1-15-12-21(24-20-9-4-3-8-19(15)20)17-6-5-7-18(13-17)29-11-10-25-16(2)23-14-22(25)26(27)28/h3-9,12-14H,10-11H2,1-2H3
InChIKeyBFZMMAQQWLTPPR-UHFFFAOYSA-N
XLogP4.70
TPSA83.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Dndi-0690
CID 137634027
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
7-[[6-(4-fluorophenyl)-3-pyridinyl]oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 50913782
5-Nitro-6-(quinolin-8-yloxy)pyrimidin-4-amine
CID 2960477
2-[2-[2-(dimethylamino)ethoxy]-11-methylindolo[2,3-b]quinolin-6-yl]-N,N-dimethylethanamine
CID 70689119
4-[2-(4-Benzyl-phenoxy)-ethyl]-4H-imidazo[4,5-b]pyridine
CID 18678229
1-[2-(4-Benzyl-phenoxy)-ethyl]-1H-imidazo[4,5-b]pyridine
CID 18678241
1-[2-(4-Benzyl-phenoxy)-ethyl]-1H-imidazo[4,5-c]pyridine 5-oxide
CID 23553327
3-[2-(4-Benzyl-phenoxy)-ethyl]-3H-imidazo[4,5-c]pyridine 5-oxide
CID 23553328
2-(2-(7-(2-Methoxyethoxy)imidazo[1.2-a]pyridin-3-yl)quinolin-8-yloxy)ethanamine
CID 25094494
3-[2-[7-(2-Methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxy-2,2-dimethylpropan-1-amine
CID 25098154
8-(3,5-dichloro-pyridin-4-ylmethoxy)-2-methyl-4-(1-methyl-1H-imidazol-2-yl)-quinoline
CID 44191223

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]phenyl]quinoline?
The IUPAC name of 4-methyl-2-[3-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]phenyl]quinoline (CID 155528317) is 4-methyl-2-[3-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]phenyl]quinoline.
What is the SMILES notation for 4-methyl-2-[3-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]phenyl]quinoline?
The canonical SMILES for 4-methyl-2-[3-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]phenyl]quinoline is Cc1cc(-c2cccc(OCCn3c([N+](=O)[O-])cnc3C)c2)nc2ccccc12.
What is the InChIKey of 4-methyl-2-[3-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]phenyl]quinoline?
The InChIKey is BFZMMAQQWLTPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-15-12-21(24-20-9-4-3-8-19(15)20)17-6-5-7-18(13-17)29-11-10-25-16(2)23-14-22(25)26(27)28/h3-9,12-14H,10-11H2,1-2H3.
What are the key properties of 4-methyl-2-[3-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]phenyl]quinoline?
4-methyl-2-[3-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]phenyl]quinoline has a molecular weight of 388.43 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]phenyl]quinoline is sourced from PubChem (CID 155528317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).