tert-butyl (3R)-3-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;hydrochloride

C54H58ClN15O4 — CID 158230019

IUPACtert-butyl (3R)-3-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;hydrochloride
SMILESCl.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(C3CCCCC3)c(=O)n5C)cn2)nn1.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c(=O)n5C)cn2)nn1
InChIInChI=1S/C29H32N8O3.C25H25N7O.ClH/c1-29(2,3)40-28(39)36-12-6-7-20(16-36)37-26-21-13-18(8-10-22(21)31-15-25(26)35(5)27(37)38)19-9-11-23(30-14-19)24-17-34(4)33-32-24;1-30-15-22(28-29-30)21-11-9-17(13-26-21)16-8-10-20-19(12-16)24-23(14-27-20)31(2)25(33)32(24)18-6-4-3-5-7-18;/h8-11,13-15,17,20H,6-7,12,16H2,1-5H3;8-15,18H,3-7H2,1-2H3;1H/t20-;;/m1../s1
InChIKeyCNFVOAVBCZKQHW-FAVHNTAZSA-N
MW1016.61 g/mol
LogP8.99
Rot. Bonds6

About tert-butyl (3R)-3-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;hydrochloride

tert-butyl (3R)-3-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;hydrochloride (PubChem CID 158230019) has the molecular formula C54H58ClN15O4 and a molecular weight of 1016.61 g/mol. Its IUPAC name is tert-butyl (3R)-3-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;hydrochloride.

Molecular Properties

Compound Nametert-butyl (3R)-3-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;hydrochloride
PubChem CID158230019
Molecular FormulaC54H58ClN15O4
Molecular Weight1016.61 g/mol
Exact Mass1015.45
IUPAC Nametert-butyl (3R)-3-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;hydrochloride
SMILESCl.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(C3CCCCC3)c(=O)n5C)cn2)nn1.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c(=O)n5C)cn2)nn1
InChIInChI=1S/C29H32N8O3.C25H25N7O.ClH/c1-29(2,3)40-28(39)36-12-6-7-20(16-36)37-26-21-13-18(8-10-22(21)31-15-25(26)35(5)27(37)38)19-9-11-23(30-14-19)24-17-34(4)33-32-24;1-30-15-22(28-29-30)21-11-9-17(13-26-21)16-8-10-20-19(12-16)24-23(14-27-20)31(2)25(33)32(24)18-6-4-3-5-7-18;/h8-11,13-15,17,20H,6-7,12,16H2,1-5H3;8-15,18H,3-7H2,1-2H3;1H/t20-;;/m1../s1
InChIKeyCNFVOAVBCZKQHW-FAVHNTAZSA-N
XLogP8.99
TPSA196.38 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001016.61
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze tert-butyl (3R)-3-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)-1-(1-methylpyrrolidin-3-yl)-1H-imidazo[4,5-c]quinolin-2(3H)-one
CID 118101794
1-(1-acetylpyrrolidin-3-yl)-3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)-1H-imidazo[4,5-c]quinolin-2(3H)-one
CID 118101795
1-(1-benzylpyrrolidin-3-yl)-3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)-1H-imidazo[4,5-c]quinolin-2(3H)-one
CID 118101861
1-(1-ethylpyrrolidin-3-yl)-3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)-1H-imidazo[4,5-c]quinolin-2(3H)-one
CID 118101869
Tert-butyl 4-[4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;6-[difluoro-[6-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline;methane
CID 159036506
tert-butyl 3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]azetidine-1-carboxylate;tert-butyl 3-[[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]methyl]azetidine-1-carboxylate;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]quinoline;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-diethylethanamine;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-dimethylethanamine;6-[difluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline
CID 160948212
tert-butyl 3-[4-[5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]triazol-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
CID 170648942
3-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]-1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-5-[[4-[4-[2-oxo-3-[2-oxo-2-[2-(trifluoromethyl)piperidin-1-yl]ethyl]benzimidazol-1-yl]phenyl]pyrazolo[5,4-c]pyridin-1-yl]methyl]benzimidazol-2-one
CID 174195473
Tert-butyl 4-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate
CID 176255976
tert-butyl N-[2-[4-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]carbamate
CID 176896336
Tert-butyl 4-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate
CID 176896343
tert-butyl N-ethyl-N-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]carbamate
CID 53630352

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;hydrochloride?
The IUPAC name of tert-butyl (3R)-3-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;hydrochloride (CID 158230019) is tert-butyl (3R)-3-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;hydrochloride.
What is the SMILES notation for tert-butyl (3R)-3-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;hydrochloride?
The canonical SMILES for tert-butyl (3R)-3-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;hydrochloride is Cl.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(C3CCCCC3)c(=O)n5C)cn2)nn1.Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c(=O)n5C)cn2)nn1.
What is the InChIKey of tert-butyl (3R)-3-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;hydrochloride?
The InChIKey is CNFVOAVBCZKQHW-FAVHNTAZSA-N. The full InChI is InChI=1S/C29H32N8O3.C25H25N7O.ClH/c1-29(2,3)40-28(39)36-12-6-7-20(16-36)37-26-21-13-18(8-10-22(21)31-15-25(26)35(5)27(37)38)19-9-11-23(30-14-19)24-17-34(4)33-32-24;1-30-15-22(28-29-30)21-11-9-17(13-26-21)16-8-10-20-19(12-16)24-23(14-27-20)31(2)25(33)32(24)18-6-4-3-5-7-18;/h8-11,13-15,17,20H,6-7,12,16H2,1-5H3;8-15,18H,3-7H2,1-2H3;1H/t20-;;/m1../s1.
What are the key properties of tert-butyl (3R)-3-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;hydrochloride?
tert-butyl (3R)-3-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;hydrochloride has a molecular weight of 1016.61 g/mol, XLogP of 8.99, 6 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate;1-cyclohexyl-3-methyl-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;hydrochloride is sourced from PubChem (CID 158230019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).