methyl 4-amino-2-benzyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate

C23H24N4O3 — CID 71292306

IUPACmethyl 4-amino-2-benzyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(N)c1nc(Cc3ccccc3)n(CC(C)(C)O)c12
InChIInChI=1S/C23H24N4O3/c1-23(2,29)13-27-18(11-14-7-5-4-6-8-14)26-19-20(27)16-10-9-15(22(28)30-3)12-17(16)25-21(19)24/h4-10,12,29H,11,13H2,1-3H3,(H2,24,25)
InChIKeyMUDHOUVLKLZSNR-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.32
Rot. Bonds5

About methyl 4-amino-2-benzyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate

methyl 4-amino-2-benzyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate (PubChem CID 71292306) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is methyl 4-amino-2-benzyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-benzyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate
PubChem CID71292306
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Namemethyl 4-amino-2-benzyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(N)c1nc(Cc3ccccc3)n(CC(C)(C)O)c12
InChIInChI=1S/C23H24N4O3/c1-23(2,29)13-27-18(11-14-7-5-4-6-8-14)26-19-20(27)16-10-9-15(22(28)30-3)12-17(16)25-21(19)24/h4-10,12,29H,11,13H2,1-3H3,(H2,24,25)
InChIKeyMUDHOUVLKLZSNR-UHFFFAOYSA-N
XLogP3.32
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 4-amino-2-benzyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate with MolForge

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Related Compounds

Methyl 4-amino-1-(2-aminoethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate
CID 130276131
ethyl 2-amino-1-benzyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
CID 705218
4-[8-(2,6-Dimethylphenylamino)imidazo[1,5-a]-pyrazin-5-yl]benzoic acid
CID 44422549
Methyl 4-[3-[1-(5,7-difluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]-2-fluorobenzoate
CID 86566601
TLR7/8 agonist 6
CID 130289687
Methyl 4-amino-1-(5-aminopentyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate
CID 130289827
Methyl 2-fluoro-4-[3-[1-(7-fluoroquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]benzoate
CID 141370273
Methyl 2-fluoro-4-[3-[1-(7-methylquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]benzoate
CID 141370365
Methyl 2-fluoro-4-[3-[1-(5-methylquinolin-6-yl)ethyl]imidazo[4,5-b]pyrazin-5-yl]benzoate
CID 141370377
Benzyl 2-amino-1-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 662561
3-(2-Amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)benzoic acid
CID 700996
6-Ethylindolo[2,3-b]quinoxaline-2-carboxylic acid
CID 4875333

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-benzyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate?
The IUPAC name of methyl 4-amino-2-benzyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate (CID 71292306) is methyl 4-amino-2-benzyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate.
What is the SMILES notation for methyl 4-amino-2-benzyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate?
The canonical SMILES for methyl 4-amino-2-benzyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate is COC(=O)c1ccc2c(c1)nc(N)c1nc(Cc3ccccc3)n(CC(C)(C)O)c12.
What is the InChIKey of methyl 4-amino-2-benzyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate?
The InChIKey is MUDHOUVLKLZSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-23(2,29)13-27-18(11-14-7-5-4-6-8-14)26-19-20(27)16-10-9-15(22(28)30-3)12-17(16)25-21(19)24/h4-10,12,29H,11,13H2,1-3H3,(H2,24,25).
What are the key properties of methyl 4-amino-2-benzyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate?
methyl 4-amino-2-benzyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate has a molecular weight of 404.47 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-benzyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate is sourced from PubChem (CID 71292306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).