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

C24H23N3O2 — CID 22254453

IUPAC2-(2-methoxyethyl)-1-[2-(3-phenylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline
SMILESCOCCc1nc2cnc3ccccc3c2n1CCOCC#Cc1ccccc1
InChIInChI=1S/C24H23N3O2/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,13-17H2,1H3
InChIKeyWGIYTEIRCZCJHL-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.84
Rot. Bonds7

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

2-(2-methoxyethyl)-1-[2-(3-phenylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline (PubChem CID 22254453) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-1-[2-(3-phenylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name2-(2-methoxyethyl)-1-[2-(3-phenylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline
PubChem CID22254453
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name2-(2-methoxyethyl)-1-[2-(3-phenylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline
SMILESCOCCc1nc2cnc3ccccc3c2n1CCOCC#Cc1ccccc1
InChIInChI=1S/C24H23N3O2/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,13-17H2,1H3
InChIKeyWGIYTEIRCZCJHL-UHFFFAOYSA-N
XLogP3.84
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethyl)-1-[2-(3-phenylpropoxy)ethyl]imidazo[4,5-c]quinoline
CID 22254480
2-methyl-1-[4-(3-phenylprop-2-ynoxy)butyl]imidazo[4,5-c]quinoline
CID 22254431
2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline
CID 22254436
tert-butyl N-[2-[2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]carbamate
CID 69417224
ethane;methoxymethylbenzene;2-(2-propylimidazo[4,5-c]quinolin-1-yl)ethoxyphosphane
CID 90820432
2-ethyl-1-[3-(4-methoxyphenyl)prop-2-ynyl]imidazo[4,5-c]quinoline
CID 69084239
2-[2-(2-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine
CID 103964573
4-(2-butylimidazo[4,5-c]quinolin-1-yl)butan-1-amine
CID 141029789
1-[2-(3-pyridin-2-ylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline
CID 141052958
O-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl] ethanethioate
CID 91445036
2-(chloromethyl)-1-(2-methoxy-2-methylpropyl)imidazo[4,5-c]quinoline
CID 104763468
2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinoline
CID 118146486

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-1-[2-(3-phenylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline?
The IUPAC name of 2-(2-methoxyethyl)-1-[2-(3-phenylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline (CID 22254453) is 2-(2-methoxyethyl)-1-[2-(3-phenylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline.
What is the SMILES notation for 2-(2-methoxyethyl)-1-[2-(3-phenylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline?
The canonical SMILES for 2-(2-methoxyethyl)-1-[2-(3-phenylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline is COCCc1nc2cnc3ccccc3c2n1CCOCC#Cc1ccccc1.
What is the InChIKey of 2-(2-methoxyethyl)-1-[2-(3-phenylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline?
The InChIKey is WGIYTEIRCZCJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/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,13-17H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-1-[2-(3-phenylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline?
2-(2-methoxyethyl)-1-[2-(3-phenylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline has a molecular weight of 385.47 g/mol, XLogP of 3.84, 7 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-phenylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline is sourced from PubChem (CID 22254453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).