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

C22H22N4O3 — CID 123844708

IUPACmethyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-phenylimidazo[4,5-c]quinoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(N)c1nc(-c3ccccc3)n(CC(C)(C)O)c12
InChIInChI=1S/C22H22N4O3/c1-22(2,28)12-26-18-15-10-9-14(21(27)29-3)11-16(15)24-19(23)17(18)25-20(26)13-7-5-4-6-8-13/h4-11,28H,12H2,1-3H3,(H2,23,24)
InChIKeyJNHLMBCQHAXRTO-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.39
Rot. Bonds4

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

methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-phenylimidazo[4,5-c]quinoline-7-carboxylate (PubChem CID 123844708) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-phenylimidazo[4,5-c]quinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-phenylimidazo[4,5-c]quinoline-7-carboxylate
PubChem CID123844708
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Namemethyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-phenylimidazo[4,5-c]quinoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(N)c1nc(-c3ccccc3)n(CC(C)(C)O)c12
InChIInChI=1S/C22H22N4O3/c1-22(2,28)12-26-18-15-10-9-14(21(27)29-3)11-16(15)24-19(23)17(18)25-20(26)13-7-5-4-6-8-13/h4-11,28H,12H2,1-3H3,(H2,23,24)
InChIKeyJNHLMBCQHAXRTO-UHFFFAOYSA-N
XLogP3.39
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-amino-2-butyl-1-[2-(dimethylamino)ethyl]imidazo[4,5-c]quinoline-7-carboxylate
CID 171647408
methyl 4-amino-2-butyl-1-(4-methoxy-4-oxobutyl)imidazo[4,5-c]quinoline-7-carboxylate
CID 130289627
methyl 4-amino-2-butyl-1-(5-methoxy-5-oxopentyl)imidazo[4,5-c]quinoline-7-carboxylate
CID 130289685
methyl 4-amino-2-butyl-1-(2-methylsulfanylethyl)imidazo[4,5-c]quinoline-7-carboxylate
CID 130289620
[4-amino-7-bromo-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methyl N-ethylcarbamate
CID 176885321
methyl 1-(2-acetyloxypropyl)-4-amino-2-butylimidazo[4,5-c]quinoline-7-carboxylate
CID 130290425
1-[4-amino-2-(trifluoromethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 149195534
1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride
CID 76902470
1-(4-amino-2-pyrrolidin-1-ylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
CID 58421827
methyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate
CID 130289625
methyl 4-amino-2-butyl-1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate
CID 164869569
methyl 4-amino-2-butyl-1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate
CID 130289691

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-phenylimidazo[4,5-c]quinoline-7-carboxylate?
The IUPAC name of methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-phenylimidazo[4,5-c]quinoline-7-carboxylate (CID 123844708) is methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-phenylimidazo[4,5-c]quinoline-7-carboxylate.
What is the SMILES notation for methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-phenylimidazo[4,5-c]quinoline-7-carboxylate?
The canonical SMILES for methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-phenylimidazo[4,5-c]quinoline-7-carboxylate is COC(=O)c1ccc2c(c1)nc(N)c1nc(-c3ccccc3)n(CC(C)(C)O)c12.
What is the InChIKey of methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-phenylimidazo[4,5-c]quinoline-7-carboxylate?
The InChIKey is JNHLMBCQHAXRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-22(2,28)12-26-18-15-10-9-14(21(27)29-3)11-16(15)24-19(23)17(18)25-20(26)13-7-5-4-6-8-13/h4-11,28H,12H2,1-3H3,(H2,23,24).
What are the key properties of methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-phenylimidazo[4,5-c]quinoline-7-carboxylate?
methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-phenylimidazo[4,5-c]quinoline-7-carboxylate has a molecular weight of 390.44 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-phenylimidazo[4,5-c]quinoline-7-carboxylate is sourced from PubChem (CID 123844708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).