1-ethoxy-3-ethyl-2-imidazo[4,5-c]quinolin-1-ylpentan-3-ol

C19H25N3O2 — CID 166790656

IUPAC1-ethoxy-3-ethyl-2-imidazo[4,5-c]quinolin-1-ylpentan-3-ol
SMILESCCOCC(n1cnc2cnc3ccccc3c21)C(O)(CC)CC
InChIInChI=1S/C19H25N3O2/c1-4-19(23,5-2)17(12-24-6-3)22-13-21-16-11-20-15-10-8-7-9-14(15)18(16)22/h7-11,13,17,23H,4-6,12H2,1-3H3
InChIKeyAIUTXVPIGAHJPR-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.71
Rot. Bonds7

About 1-ethoxy-3-ethyl-2-imidazo[4,5-c]quinolin-1-ylpentan-3-ol

1-ethoxy-3-ethyl-2-imidazo[4,5-c]quinolin-1-ylpentan-3-ol (PubChem CID 166790656) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-ethoxy-3-ethyl-2-imidazo[4,5-c]quinolin-1-ylpentan-3-ol.

Molecular Properties

Compound Name1-ethoxy-3-ethyl-2-imidazo[4,5-c]quinolin-1-ylpentan-3-ol
PubChem CID166790656
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-ethoxy-3-ethyl-2-imidazo[4,5-c]quinolin-1-ylpentan-3-ol
SMILESCCOCC(n1cnc2cnc3ccccc3c21)C(O)(CC)CC
InChIInChI=1S/C19H25N3O2/c1-4-19(23,5-2)17(12-24-6-3)22-13-21-16-11-20-15-10-8-7-9-14(15)18(16)22/h7-11,13,17,23H,4-6,12H2,1-3H3
InChIKeyAIUTXVPIGAHJPR-UHFFFAOYSA-N
XLogP3.71
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-ethyl-2-imidazo[4,5-c]quinolin-1-ylpentan-3-ol?
The IUPAC name of 1-ethoxy-3-ethyl-2-imidazo[4,5-c]quinolin-1-ylpentan-3-ol (CID 166790656) is 1-ethoxy-3-ethyl-2-imidazo[4,5-c]quinolin-1-ylpentan-3-ol.
What is the SMILES notation for 1-ethoxy-3-ethyl-2-imidazo[4,5-c]quinolin-1-ylpentan-3-ol?
The canonical SMILES for 1-ethoxy-3-ethyl-2-imidazo[4,5-c]quinolin-1-ylpentan-3-ol is CCOCC(n1cnc2cnc3ccccc3c21)C(O)(CC)CC.
What is the InChIKey of 1-ethoxy-3-ethyl-2-imidazo[4,5-c]quinolin-1-ylpentan-3-ol?
The InChIKey is AIUTXVPIGAHJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-4-19(23,5-2)17(12-24-6-3)22-13-21-16-11-20-15-10-8-7-9-14(15)18(16)22/h7-11,13,17,23H,4-6,12H2,1-3H3.
What are the key properties of 1-ethoxy-3-ethyl-2-imidazo[4,5-c]quinolin-1-ylpentan-3-ol?
1-ethoxy-3-ethyl-2-imidazo[4,5-c]quinolin-1-ylpentan-3-ol has a molecular weight of 327.43 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-ethyl-2-imidazo[4,5-c]quinolin-1-ylpentan-3-ol is sourced from PubChem (CID 166790656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).