2-(2-methoxyethyl)-1-[2-(3-phenylpropoxy)ethyl]imidazo[4,5-c]quinoline

C24H27N3O2 — CID 22254480

IUPAC2-(2-methoxyethyl)-1-[2-(3-phenylpropoxy)ethyl]imidazo[4,5-c]quinoline
SMILESCOCCc1nc2cnc3ccccc3c2n1CCOCCCc1ccccc1
InChIInChI=1S/C24H27N3O2/c1-28-16-13-23-26-22-18-25-21-12-6-5-11-20(21)24(22)27(23)14-17-29-15-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12,18H,7,10,13-17H2,1H3
InChIKeyMAZJGZWFZKSCNJ-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.42
Rot. Bonds10

About 2-(2-methoxyethyl)-1-[2-(3-phenylpropoxy)ethyl]imidazo[4,5-c]quinoline

2-(2-methoxyethyl)-1-[2-(3-phenylpropoxy)ethyl]imidazo[4,5-c]quinoline (PubChem CID 22254480) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-1-[2-(3-phenylpropoxy)ethyl]imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name2-(2-methoxyethyl)-1-[2-(3-phenylpropoxy)ethyl]imidazo[4,5-c]quinoline
PubChem CID22254480
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name2-(2-methoxyethyl)-1-[2-(3-phenylpropoxy)ethyl]imidazo[4,5-c]quinoline
SMILESCOCCc1nc2cnc3ccccc3c2n1CCOCCCc1ccccc1
InChIInChI=1S/C24H27N3O2/c1-28-16-13-23-26-22-18-25-21-12-6-5-11-20(21)24(22)27(23)14-17-29-15-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12,18H,7,10,13-17H2,1H3
InChIKeyMAZJGZWFZKSCNJ-UHFFFAOYSA-N
XLogP4.42
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethyl)-1-[2-(3-phenylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline
CID 22254453
2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline
CID 22254436
ethane;methoxymethylbenzene;2-(2-propylimidazo[4,5-c]quinolin-1-yl)ethoxyphosphane
CID 90820432
tert-butyl N-[2-[2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]carbamate
CID 69417224
4-(2-butylimidazo[4,5-c]quinolin-1-yl)butan-1-amine
CID 141029789
2-[2-(2-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine
CID 103964573
3-[2-(propoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylcarbamic acid
CID 67224202
2-(2-methoxyethyl)-1-(oxan-4-ylmethyl)-6-phenylmethoxyimidazo[4,5-c]quinoline
CID 23641681
2-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]isoindole-1,3-dione
CID 54490153
ethyl 6-(2-propylimidazo[4,5-c]quinolin-1-yl)hexanoate
CID 57447018
O-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl] ethanethioate
CID 91445036
4-(2-ethylimidazo[4,5-c]quinolin-1-yl)butanal
CID 86626643

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-1-[2-(3-phenylpropoxy)ethyl]imidazo[4,5-c]quinoline?
The IUPAC name of 2-(2-methoxyethyl)-1-[2-(3-phenylpropoxy)ethyl]imidazo[4,5-c]quinoline (CID 22254480) is 2-(2-methoxyethyl)-1-[2-(3-phenylpropoxy)ethyl]imidazo[4,5-c]quinoline.
What is the SMILES notation for 2-(2-methoxyethyl)-1-[2-(3-phenylpropoxy)ethyl]imidazo[4,5-c]quinoline?
The canonical SMILES for 2-(2-methoxyethyl)-1-[2-(3-phenylpropoxy)ethyl]imidazo[4,5-c]quinoline is COCCc1nc2cnc3ccccc3c2n1CCOCCCc1ccccc1.
What is the InChIKey of 2-(2-methoxyethyl)-1-[2-(3-phenylpropoxy)ethyl]imidazo[4,5-c]quinoline?
The InChIKey is MAZJGZWFZKSCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-28-16-13-23-26-22-18-25-21-12-6-5-11-20(21)24(22)27(23)14-17-29-15-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12,18H,7,10,13-17H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-1-[2-(3-phenylpropoxy)ethyl]imidazo[4,5-c]quinoline?
2-(2-methoxyethyl)-1-[2-(3-phenylpropoxy)ethyl]imidazo[4,5-c]quinoline has a molecular weight of 389.50 g/mol, XLogP of 4.42, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-1-[2-(3-phenylpropoxy)ethyl]imidazo[4,5-c]quinoline is sourced from PubChem (CID 22254480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).