2-imidazo[4,5-c]quinolin-1-ylbutyl acetate

C16H17N3O2 — CID 22254426

IUPAC2-imidazo[4,5-c]quinolin-1-ylbutyl acetate
SMILESCCC(COC(C)=O)n1cnc2cnc3ccccc3c21
InChIInChI=1S/C16H17N3O2/c1-3-12(9-21-11(2)20)19-10-18-15-8-17-14-7-5-4-6-13(14)16(15)19/h4-8,10,12H,3,9H2,1-2H3
InChIKeyPKVMMGWDABXLLX-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.10
Rot. Bonds4

About 2-imidazo[4,5-c]quinolin-1-ylbutyl acetate

2-imidazo[4,5-c]quinolin-1-ylbutyl acetate (PubChem CID 22254426) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-imidazo[4,5-c]quinolin-1-ylbutyl acetate.

Molecular Properties

Compound Name2-imidazo[4,5-c]quinolin-1-ylbutyl acetate
PubChem CID22254426
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-imidazo[4,5-c]quinolin-1-ylbutyl acetate
SMILESCCC(COC(C)=O)n1cnc2cnc3ccccc3c21
InChIInChI=1S/C16H17N3O2/c1-3-12(9-21-11(2)20)19-10-18-15-8-17-14-7-5-4-6-13(14)16(15)19/h4-8,10,12H,3,9H2,1-2H3
InChIKeyPKVMMGWDABXLLX-UHFFFAOYSA-N
XLogP3.10
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-imidazo[4,5-c]quinolin-1-ylbutyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[4,5-c]quinolin-1-ylbutyl acetate?
The IUPAC name of 2-imidazo[4,5-c]quinolin-1-ylbutyl acetate (CID 22254426) is 2-imidazo[4,5-c]quinolin-1-ylbutyl acetate.
What is the SMILES notation for 2-imidazo[4,5-c]quinolin-1-ylbutyl acetate?
The canonical SMILES for 2-imidazo[4,5-c]quinolin-1-ylbutyl acetate is CCC(COC(C)=O)n1cnc2cnc3ccccc3c21.
What is the InChIKey of 2-imidazo[4,5-c]quinolin-1-ylbutyl acetate?
The InChIKey is PKVMMGWDABXLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-12(9-21-11(2)20)19-10-18-15-8-17-14-7-5-4-6-13(14)16(15)19/h4-8,10,12H,3,9H2,1-2H3.
What are the key properties of 2-imidazo[4,5-c]quinolin-1-ylbutyl acetate?
2-imidazo[4,5-c]quinolin-1-ylbutyl acetate has a molecular weight of 283.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[4,5-c]quinolin-1-ylbutyl acetate is sourced from PubChem (CID 22254426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).