1-(2-methylpropyl)-7-(oxolan-3-yloxy)-2-propylimidazo[4,5-c]quinoline

C21H27N3O2 — CID 68970004

IUPAC1-(2-methylpropyl)-7-(oxolan-3-yloxy)-2-propylimidazo[4,5-c]quinoline
SMILESCCCc1nc2cnc3cc(OC4CCOC4)ccc3c2n1CC(C)C
InChIInChI=1S/C21H27N3O2/c1-4-5-20-23-19-11-22-18-10-15(26-16-8-9-25-13-16)6-7-17(18)21(19)24(20)12-14(2)3/h6-7,10-11,14,16H,4-5,8-9,12-13H2,1-3H3
InChIKeyBEMJDJSMDUPXCR-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.36
Rot. Bonds6

About 1-(2-methylpropyl)-7-(oxolan-3-yloxy)-2-propylimidazo[4,5-c]quinoline

1-(2-methylpropyl)-7-(oxolan-3-yloxy)-2-propylimidazo[4,5-c]quinoline (PubChem CID 68970004) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-(2-methylpropyl)-7-(oxolan-3-yloxy)-2-propylimidazo[4,5-c]quinoline.

Molecular Properties

Compound Name1-(2-methylpropyl)-7-(oxolan-3-yloxy)-2-propylimidazo[4,5-c]quinoline
PubChem CID68970004
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1-(2-methylpropyl)-7-(oxolan-3-yloxy)-2-propylimidazo[4,5-c]quinoline
SMILESCCCc1nc2cnc3cc(OC4CCOC4)ccc3c2n1CC(C)C
InChIInChI=1S/C21H27N3O2/c1-4-5-20-23-19-11-22-18-10-15(26-16-8-9-25-13-16)6-7-17(18)21(19)24(20)12-14(2)3/h6-7,10-11,14,16H,4-5,8-9,12-13H2,1-3H3
InChIKeyBEMJDJSMDUPXCR-UHFFFAOYSA-N
XLogP4.36
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-7-(oxolan-3-yloxy)-2-propylimidazo[4,5-c]quinoline?
The IUPAC name of 1-(2-methylpropyl)-7-(oxolan-3-yloxy)-2-propylimidazo[4,5-c]quinoline (CID 68970004) is 1-(2-methylpropyl)-7-(oxolan-3-yloxy)-2-propylimidazo[4,5-c]quinoline.
What is the SMILES notation for 1-(2-methylpropyl)-7-(oxolan-3-yloxy)-2-propylimidazo[4,5-c]quinoline?
The canonical SMILES for 1-(2-methylpropyl)-7-(oxolan-3-yloxy)-2-propylimidazo[4,5-c]quinoline is CCCc1nc2cnc3cc(OC4CCOC4)ccc3c2n1CC(C)C.
What is the InChIKey of 1-(2-methylpropyl)-7-(oxolan-3-yloxy)-2-propylimidazo[4,5-c]quinoline?
The InChIKey is BEMJDJSMDUPXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-4-5-20-23-19-11-22-18-10-15(26-16-8-9-25-13-16)6-7-17(18)21(19)24(20)12-14(2)3/h6-7,10-11,14,16H,4-5,8-9,12-13H2,1-3H3.
What are the key properties of 1-(2-methylpropyl)-7-(oxolan-3-yloxy)-2-propylimidazo[4,5-c]quinoline?
1-(2-methylpropyl)-7-(oxolan-3-yloxy)-2-propylimidazo[4,5-c]quinoline has a molecular weight of 353.47 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-7-(oxolan-3-yloxy)-2-propylimidazo[4,5-c]quinoline is sourced from PubChem (CID 68970004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).