(1S,2S,4R)-4-[(6,7-dimethoxyquinoxalin-2-yl)amino]-2-methylcyclohexan-1-ol

C17H23N3O3 — CID 10335969

IUPAC(1S,2S,4R)-4-[(6,7-dimethoxyquinoxalin-2-yl)amino]-2-methylcyclohexan-1-ol
SMILESCOc1cc2ncc(N[C@@H]3CC[C@H](O)[C@@H](C)C3)nc2cc1OC
InChIInChI=1S/C17H23N3O3/c1-10-6-11(4-5-14(10)21)19-17-9-18-12-7-15(22-2)16(23-3)8-13(12)20-17/h7-11,14,21H,4-6H2,1-3H3,(H,19,20)/t10-,11+,14-/m0/s1
InChIKeyZIKJGFZRXYVGMK-WDMOLILDSA-N
MW317.39 g/mol
LogP2.61
Rot. Bonds4

About (1S,2S,4R)-4-[(6,7-dimethoxyquinoxalin-2-yl)amino]-2-methylcyclohexan-1-ol

(1S,2S,4R)-4-[(6,7-dimethoxyquinoxalin-2-yl)amino]-2-methylcyclohexan-1-ol (PubChem CID 10335969) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (1S,2S,4R)-4-[(6,7-dimethoxyquinoxalin-2-yl)amino]-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,4R)-4-[(6,7-dimethoxyquinoxalin-2-yl)amino]-2-methylcyclohexan-1-ol
PubChem CID10335969
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(1S,2S,4R)-4-[(6,7-dimethoxyquinoxalin-2-yl)amino]-2-methylcyclohexan-1-ol
SMILESCOc1cc2ncc(N[C@@H]3CC[C@H](O)[C@@H](C)C3)nc2cc1OC
InChIInChI=1S/C17H23N3O3/c1-10-6-11(4-5-14(10)21)19-17-9-18-12-7-15(22-2)16(23-3)8-13(12)20-17/h7-11,14,21H,4-6H2,1-3H3,(H,19,20)/t10-,11+,14-/m0/s1
InChIKeyZIKJGFZRXYVGMK-WDMOLILDSA-N
XLogP2.61
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1S,2S,4R)-4-[(6,7-dimethoxyquinoxalin-2-yl)amino]-2-methylcyclohexan-1-ol with MolForge

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Related Compounds

Pyrazine-Pyridine Biheteroaryl 15
CID 5330360
4-(6,7-Dimethoxy-quinoxalin-2-ylamino)-cyclohexanol
CID 9796455
Benzyl-(6,7-dimethoxy-quinoxalin-2-yl)-amine
CID 9839107
(3-Chloro-phenyl)-(6,7-dimethoxy-quinoxalin-2-yl)-amine
CID 9861697
(6,7-Dimethoxy-quinoxalin-2-yl)-phenyl-amine
CID 9903852
(+/-)-Bicyclo[2.2.1]hept-2-yl-(6,7-dimethoxyquinoxalin-2-yl)-amine
CID 22573129
(6,7-Dimethoxy-quinoxalin-2-yl)-(3-methyl-cyclohexyl)-amine
CID 22573148
2-Cyclohexylamino-6,7-dimethoxyquinoxaline
CID 22573150
Cyclopentyl-(6,7-dimethoxy-quinoxalin-2-yl)-amine
CID 22573167
4-(6,7-Dimethoxy-quinoxalin-2-ylamino)-cyclohexanecarboxylic acid methyl ester
CID 44335526
5-(6,7-Dimethoxy-quinoxalin-2-ylamino)-bicyclo[2.2.1]heptan-2-ol
CID 44335597
(4-{6-[(3,4,5-Trimethoxyphenyl)amino]pyrazin-2-yl}phenyl)methanol
CID 11710382

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-4-[(6,7-dimethoxyquinoxalin-2-yl)amino]-2-methylcyclohexan-1-ol?
The IUPAC name of (1S,2S,4R)-4-[(6,7-dimethoxyquinoxalin-2-yl)amino]-2-methylcyclohexan-1-ol (CID 10335969) is (1S,2S,4R)-4-[(6,7-dimethoxyquinoxalin-2-yl)amino]-2-methylcyclohexan-1-ol.
What is the SMILES notation for (1S,2S,4R)-4-[(6,7-dimethoxyquinoxalin-2-yl)amino]-2-methylcyclohexan-1-ol?
The canonical SMILES for (1S,2S,4R)-4-[(6,7-dimethoxyquinoxalin-2-yl)amino]-2-methylcyclohexan-1-ol is COc1cc2ncc(N[C@@H]3CC[C@H](O)[C@@H](C)C3)nc2cc1OC.
What is the InChIKey of (1S,2S,4R)-4-[(6,7-dimethoxyquinoxalin-2-yl)amino]-2-methylcyclohexan-1-ol?
The InChIKey is ZIKJGFZRXYVGMK-WDMOLILDSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-10-6-11(4-5-14(10)21)19-17-9-18-12-7-15(22-2)16(23-3)8-13(12)20-17/h7-11,14,21H,4-6H2,1-3H3,(H,19,20)/t10-,11+,14-/m0/s1.
What are the key properties of (1S,2S,4R)-4-[(6,7-dimethoxyquinoxalin-2-yl)amino]-2-methylcyclohexan-1-ol?
(1S,2S,4R)-4-[(6,7-dimethoxyquinoxalin-2-yl)amino]-2-methylcyclohexan-1-ol has a molecular weight of 317.39 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-4-[(6,7-dimethoxyquinoxalin-2-yl)amino]-2-methylcyclohexan-1-ol is sourced from PubChem (CID 10335969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).