ethyl 2-[1-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl-[[4-(2-methoxy-2-oxoethyl)phenyl]methyl]amino]-2-oxoethyl]piperidin-4-yl]acetate

C38H50N6O5 — CID 25107053

IUPACethyl 2-[1-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl-[[4-(2-methoxy-2-oxoethyl)phenyl]methyl]amino]-2-oxoethyl]piperidin-4-yl]acetate
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN1CCC(CC(=O)OCC)CC1
InChIInChI=1S/C38H50N6O5/c1-4-6-12-32-41-36-37(30-10-7-8-11-31(30)40-38(36)39)44(32)20-9-19-43(25-29-15-13-27(14-16-29)23-34(46)48-3)33(45)26-42-21-17-28(18-22-42)24-35(47)49-5-2/h7-8,10-11,13-16,28H,4-6,9,12,17-26H2,1-3H3,(H2,39,40)
InChIKeyGHHLGTJMHFABRG-UHFFFAOYSA-N
MW670.86 g/mol
LogP5.31
Rot. Bonds16

About ethyl 2-[1-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl-[[4-(2-methoxy-2-oxoethyl)phenyl]methyl]amino]-2-oxoethyl]piperidin-4-yl]acetate

ethyl 2-[1-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl-[[4-(2-methoxy-2-oxoethyl)phenyl]methyl]amino]-2-oxoethyl]piperidin-4-yl]acetate (PubChem CID 25107053) has the molecular formula C38H50N6O5 and a molecular weight of 670.86 g/mol. Its IUPAC name is ethyl 2-[1-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl-[[4-(2-methoxy-2-oxoethyl)phenyl]methyl]amino]-2-oxoethyl]piperidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl-[[4-(2-methoxy-2-oxoethyl)phenyl]methyl]amino]-2-oxoethyl]piperidin-4-yl]acetate
PubChem CID25107053
Molecular FormulaC38H50N6O5
Molecular Weight670.86 g/mol
Exact Mass670.38
IUPAC Nameethyl 2-[1-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl-[[4-(2-methoxy-2-oxoethyl)phenyl]methyl]amino]-2-oxoethyl]piperidin-4-yl]acetate
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN1CCC(CC(=O)OCC)CC1
InChIInChI=1S/C38H50N6O5/c1-4-6-12-32-41-36-37(30-10-7-8-11-31(30)40-38(36)39)44(32)20-9-19-43(25-29-15-13-27(14-16-29)23-34(46)48-3)33(45)26-42-21-17-28(18-22-42)24-35(47)49-5-2/h7-8,10-11,13-16,28H,4-6,9,12,17-26H2,1-3H3,(H2,39,40)
InChIKeyGHHLGTJMHFABRG-UHFFFAOYSA-N
XLogP5.31
TPSA132.88 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.86
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze ethyl 2-[1-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl-[[4-(2-methoxy-2-oxoethyl)phenyl]methyl]amino]-2-oxoethyl]piperidin-4-yl]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 ethyl 2-[1-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl-[[4-(2-methoxy-2-oxoethyl)phenyl]methyl]amino]-2-oxoethyl]piperidin-4-yl]acetate?
The IUPAC name of ethyl 2-[1-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl-[[4-(2-methoxy-2-oxoethyl)phenyl]methyl]amino]-2-oxoethyl]piperidin-4-yl]acetate (CID 25107053) is ethyl 2-[1-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl-[[4-(2-methoxy-2-oxoethyl)phenyl]methyl]amino]-2-oxoethyl]piperidin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[1-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl-[[4-(2-methoxy-2-oxoethyl)phenyl]methyl]amino]-2-oxoethyl]piperidin-4-yl]acetate?
The canonical SMILES for ethyl 2-[1-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl-[[4-(2-methoxy-2-oxoethyl)phenyl]methyl]amino]-2-oxoethyl]piperidin-4-yl]acetate is CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(Cc1ccc(CC(=O)OC)cc1)C(=O)CN1CCC(CC(=O)OCC)CC1.
What is the InChIKey of ethyl 2-[1-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl-[[4-(2-methoxy-2-oxoethyl)phenyl]methyl]amino]-2-oxoethyl]piperidin-4-yl]acetate?
The InChIKey is GHHLGTJMHFABRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H50N6O5/c1-4-6-12-32-41-36-37(30-10-7-8-11-31(30)40-38(36)39)44(32)20-9-19-43(25-29-15-13-27(14-16-29)23-34(46)48-3)33(45)26-42-21-17-28(18-22-42)24-35(47)49-5-2/h7-8,10-11,13-16,28H,4-6,9,12,17-26H2,1-3H3,(H2,39,40).
What are the key properties of ethyl 2-[1-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl-[[4-(2-methoxy-2-oxoethyl)phenyl]methyl]amino]-2-oxoethyl]piperidin-4-yl]acetate?
ethyl 2-[1-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl-[[4-(2-methoxy-2-oxoethyl)phenyl]methyl]amino]-2-oxoethyl]piperidin-4-yl]acetate has a molecular weight of 670.86 g/mol, XLogP of 5.31, 16 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl-[[4-(2-methoxy-2-oxoethyl)phenyl]methyl]amino]-2-oxoethyl]piperidin-4-yl]acetate is sourced from PubChem (CID 25107053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).