1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline

C19H17N3O — CID 18760176

IUPAC1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline
SMILESc1ccc(COCCn2cnc3cnc4ccccc4c32)cc1
InChIInChI=1S/C19H17N3O/c1-2-6-15(7-3-1)13-23-11-10-22-14-21-18-12-20-17-9-5-4-8-16(17)19(18)22/h1-9,12,14H,10-11,13H2
InChIKeyUNTLGTBOBCCUBO-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.80
Rot. Bonds5

About 1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline

1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline (PubChem CID 18760176) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline
PubChem CID18760176
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline
SMILESc1ccc(COCCn2cnc3cnc4ccccc4c32)cc1
InChIInChI=1S/C19H17N3O/c1-2-6-15(7-3-1)13-23-11-10-22-14-21-18-12-20-17-9-5-4-8-16(17)19(18)22/h1-9,12,14H,10-11,13H2
InChIKeyUNTLGTBOBCCUBO-UHFFFAOYSA-N
XLogP3.80
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline?
The IUPAC name of 1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline (CID 18760176) is 1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline.
What is the SMILES notation for 1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline?
The canonical SMILES for 1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline is c1ccc(COCCn2cnc3cnc4ccccc4c32)cc1.
What is the InChIKey of 1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline?
The InChIKey is UNTLGTBOBCCUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-2-6-15(7-3-1)13-23-11-10-22-14-21-18-12-20-17-9-5-4-8-16(17)19(18)22/h1-9,12,14H,10-11,13H2.
What are the key properties of 1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline?
1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline has a molecular weight of 303.37 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline is sourced from PubChem (CID 18760176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).