Skip to content

Methyl 1-(2-acetyloxypropyl)-4-amino-2-butylimidazo[4,5-c]quinoline-7-carboxylate

C21H26N4O4 — CID 130290425

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACmethyl 1-(2-acetyloxypropyl)-4-amino-2-butylimidazo[4,5-c]quinoline-7-carboxylate
SMILESCCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CC(C)OC(C)=O
InChIInChI=1S/C21H26N4O4/c1-5-6-7-17-24-18-19(25(17)11-12(2)29-13(3)26)15-9-8-14(21(27)28-4)10-16(15)23-20(18)22/h8-10,12H,5-7,11H2,1-4H3,(H2,22,23)
InChIKeyXFEXVUXKBDTPGU-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.25
Rot. Bonds7

About Methyl 1-(2-acetyloxypropyl)-4-amino-2-butylimidazo[4,5-c]quinoline-7-carboxylate

Methyl 1-(2-acetyloxypropyl)-4-amino-2-butylimidazo[4,5-c]quinoline-7-carboxylate (PubChem CID 130290425) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is methyl 1-(2-acetyloxypropyl)-4-amino-2-butylimidazo[4,5-c]quinoline-7-carboxylate.

Molecular Properties

Compound NameMethyl 1-(2-acetyloxypropyl)-4-amino-2-butylimidazo[4,5-c]quinoline-7-carboxylate
PubChem CID130290425
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Namemethyl 1-(2-acetyloxypropyl)-4-amino-2-butylimidazo[4,5-c]quinoline-7-carboxylate
SMILESCCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CC(C)OC(C)=O
InChIInChI=1S/C21H26N4O4/c1-5-6-7-17-24-18-19(25(17)11-12(2)29-13(3)26)15-9-8-14(21(27)28-4)10-16(15)23-20(18)22/h8-10,12H,5-7,11H2,1-4H3,(H2,22,23)
InChIKeyXFEXVUXKBDTPGU-UHFFFAOYSA-N
XLogP3.25
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze Methyl 1-(2-acetyloxypropyl)-4-amino-2-butylimidazo[4,5-c]quinoline-7-carboxylate 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 Methyl 1-(2-acetyloxypropyl)-4-amino-2-butylimidazo[4,5-c]quinoline-7-carboxylate?
The IUPAC name of Methyl 1-(2-acetyloxypropyl)-4-amino-2-butylimidazo[4,5-c]quinoline-7-carboxylate (CID 130290425) is methyl 1-(2-acetyloxypropyl)-4-amino-2-butylimidazo[4,5-c]quinoline-7-carboxylate.
What is the SMILES notation for Methyl 1-(2-acetyloxypropyl)-4-amino-2-butylimidazo[4,5-c]quinoline-7-carboxylate?
The canonical SMILES for Methyl 1-(2-acetyloxypropyl)-4-amino-2-butylimidazo[4,5-c]quinoline-7-carboxylate is CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CC(C)OC(C)=O.
What is the InChIKey of Methyl 1-(2-acetyloxypropyl)-4-amino-2-butylimidazo[4,5-c]quinoline-7-carboxylate?
The InChIKey is XFEXVUXKBDTPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-5-6-7-17-24-18-19(25(17)11-12(2)29-13(3)26)15-9-8-14(21(27)28-4)10-16(15)23-20(18)22/h8-10,12H,5-7,11H2,1-4H3,(H2,22,23).
What are the key properties of Methyl 1-(2-acetyloxypropyl)-4-amino-2-butylimidazo[4,5-c]quinoline-7-carboxylate?
Methyl 1-(2-acetyloxypropyl)-4-amino-2-butylimidazo[4,5-c]quinoline-7-carboxylate has a molecular weight of 398.46 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl 1-(2-acetyloxypropyl)-4-amino-2-butylimidazo[4,5-c]quinoline-7-carboxylate is sourced from PubChem (CID 130290425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.