2-(ethoxymethyl)-4-phenylmethoxy-1-propylimidazo[4,5-c]quinoline

C23H25N3O2 — CID 141116905

IUPAC2-(ethoxymethyl)-4-phenylmethoxy-1-propylimidazo[4,5-c]quinoline
SMILESCCCn1c(COCC)nc2c(OCc3ccccc3)nc3ccccc3c21
InChIInChI=1S/C23H25N3O2/c1-3-14-26-20(16-27-4-2)25-21-22(26)18-12-8-9-13-19(18)24-23(21)28-15-17-10-6-5-7-11-17/h5-13H,3-4,14-16H2,1-2H3
InChIKeyZOCINJFBRBFPBA-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.11
Rot. Bonds8

About 2-(ethoxymethyl)-4-phenylmethoxy-1-propylimidazo[4,5-c]quinoline

2-(ethoxymethyl)-4-phenylmethoxy-1-propylimidazo[4,5-c]quinoline (PubChem CID 141116905) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4-phenylmethoxy-1-propylimidazo[4,5-c]quinoline.

Molecular Properties

Compound Name2-(ethoxymethyl)-4-phenylmethoxy-1-propylimidazo[4,5-c]quinoline
PubChem CID141116905
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2-(ethoxymethyl)-4-phenylmethoxy-1-propylimidazo[4,5-c]quinoline
SMILESCCCn1c(COCC)nc2c(OCc3ccccc3)nc3ccccc3c21
InChIInChI=1S/C23H25N3O2/c1-3-14-26-20(16-27-4-2)25-21-22(26)18-12-8-9-13-19(18)24-23(21)28-15-17-10-6-5-7-11-17/h5-13H,3-4,14-16H2,1-2H3
InChIKeyZOCINJFBRBFPBA-UHFFFAOYSA-N
XLogP5.11
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-4-phenylmethoxy-1-propylimidazo[4,5-c]quinoline?
The IUPAC name of 2-(ethoxymethyl)-4-phenylmethoxy-1-propylimidazo[4,5-c]quinoline (CID 141116905) is 2-(ethoxymethyl)-4-phenylmethoxy-1-propylimidazo[4,5-c]quinoline.
What is the SMILES notation for 2-(ethoxymethyl)-4-phenylmethoxy-1-propylimidazo[4,5-c]quinoline?
The canonical SMILES for 2-(ethoxymethyl)-4-phenylmethoxy-1-propylimidazo[4,5-c]quinoline is CCCn1c(COCC)nc2c(OCc3ccccc3)nc3ccccc3c21.
What is the InChIKey of 2-(ethoxymethyl)-4-phenylmethoxy-1-propylimidazo[4,5-c]quinoline?
The InChIKey is ZOCINJFBRBFPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-3-14-26-20(16-27-4-2)25-21-22(26)18-12-8-9-13-19(18)24-23(21)28-15-17-10-6-5-7-11-17/h5-13H,3-4,14-16H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-4-phenylmethoxy-1-propylimidazo[4,5-c]quinoline?
2-(ethoxymethyl)-4-phenylmethoxy-1-propylimidazo[4,5-c]quinoline has a molecular weight of 375.47 g/mol, XLogP of 5.11, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4-phenylmethoxy-1-propylimidazo[4,5-c]quinoline is sourced from PubChem (CID 141116905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).