cis-ethyl (1S,3R)-3-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexane-1-carboxylate

C27H30N2O5 — CID 58582396

IUPACcis-ethyl (1S,3R)-3-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)[C@H]1CCC[C@@H](O)C1NC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C27H30N2O5/c1-3-33-27(32)22-8-6-10-24(30)25(22)29-26(31)18-11-13-20(14-12-18)34-16-19-15-17(2)28-23-9-5-4-7-21(19)23/h4-5,7,9,11-15,22,24-25,30H,3,6,8,10,16H2,1-2H3,(H,29,31)/t22-,24+,25?/m0/s1
InChIKeyQCGGEPIQBUIXMS-LNJIZIIWSA-N
MW462.55 g/mol
LogP3.94
Rot. Bonds7

About cis-ethyl (1S,3R)-3-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexane-1-carboxylate

cis-ethyl (1S,3R)-3-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexane-1-carboxylate (PubChem CID 58582396) has the molecular formula C27H30N2O5 and a molecular weight of 462.55 g/mol. Its IUPAC name is cis-ethyl (1S,3R)-3-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1S,3R)-3-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexane-1-carboxylate
PubChem CID58582396
Molecular FormulaC27H30N2O5
Molecular Weight462.55 g/mol
Exact Mass462.22
IUPAC Namecis-ethyl (1S,3R)-3-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)[C@H]1CCC[C@@H](O)C1NC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C27H30N2O5/c1-3-33-27(32)22-8-6-10-24(30)25(22)29-26(31)18-11-13-20(14-12-18)34-16-19-15-17(2)28-23-9-5-4-7-21(19)23/h4-5,7,9,11-15,22,24-25,30H,3,6,8,10,16H2,1-2H3,(H,29,31)/t22-,24+,25?/m0/s1
InChIKeyQCGGEPIQBUIXMS-LNJIZIIWSA-N
XLogP3.94
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze cis-ethyl (1S,3R)-3-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexane-1-carboxylate 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

cis-ethyl (1S,3R)-3-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexane-1-carboxylate;[(1S,3S)-3-ethoxycarbonyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexyl] 4-nitrobenzoate;N-[(2S,6S)-2-hydroxy-6-(hydroxycarbamoyl)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 161068749
N-(2-ethyl-6-methylcyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 20729941
N-[2-(azetidin-1-yl)-6-(hydroxycarbamoyl)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 20729933
N-[(1S,2S)-2-(hydroxycarbamoyl)cyclopentyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;2,2,2-trifluoroacetic acid
CID 87907442
N-[2-methyl-6-(methylamino)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 20729957
N-[2-(dimethylamino)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 20729939
[3-methyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexyl] 4-methylbenzoate
CID 20729910
N-[2-(hydroxycarbamoyl)cyclopentyl]-6-[(2-methylquinolin-4-yl)methoxy]naphthalene-2-carboxamide
CID 22258460
methyl 4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxylate
CID 68858445
N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 20729958
(2S,3R)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-2-carboxamide
CID 20729877
(3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
CID 87907192

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1S,3R)-3-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of cis-ethyl (1S,3R)-3-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexane-1-carboxylate (CID 58582396) is cis-ethyl (1S,3R)-3-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1S,3R)-3-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for cis-ethyl (1S,3R)-3-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexane-1-carboxylate is CCOC(=O)[C@H]1CCC[C@@H](O)C1NC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1.
What is the InChIKey of cis-ethyl (1S,3R)-3-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexane-1-carboxylate?
The InChIKey is QCGGEPIQBUIXMS-LNJIZIIWSA-N. The full InChI is InChI=1S/C27H30N2O5/c1-3-33-27(32)22-8-6-10-24(30)25(22)29-26(31)18-11-13-20(14-12-18)34-16-19-15-17(2)28-23-9-5-4-7-21(19)23/h4-5,7,9,11-15,22,24-25,30H,3,6,8,10,16H2,1-2H3,(H,29,31)/t22-,24+,25?/m0/s1.
What are the key properties of cis-ethyl (1S,3R)-3-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexane-1-carboxylate?
cis-ethyl (1S,3R)-3-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexane-1-carboxylate has a molecular weight of 462.55 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1S,3R)-3-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 58582396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).