2-(4,4-difluorocyclohexyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol

C19H24F2N2O2 — CID 167774460

IUPAC2-(4,4-difluorocyclohexyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol
SMILESCOc1cccc2c(NC(CO)C3CCC(F)(F)CC3)cc(C)nc12
InChIInChI=1S/C19H24F2N2O2/c1-12-10-15(14-4-3-5-17(25-2)18(14)22-12)23-16(11-24)13-6-8-19(20,21)9-7-13/h3-5,10,13,16,24H,6-9,11H2,1-2H3,(H,22,23)
InChIKeySBJQOQRIGDYMOD-UHFFFAOYSA-N
MW350.41 g/mol
LogP4.15
Rot. Bonds5

About 2-(4,4-difluorocyclohexyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol

2-(4,4-difluorocyclohexyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol (PubChem CID 167774460) has the molecular formula C19H24F2N2O2 and a molecular weight of 350.41 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol
PubChem CID167774460
Molecular FormulaC19H24F2N2O2
Molecular Weight350.41 g/mol
Exact Mass350.18
IUPAC Name2-(4,4-difluorocyclohexyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol
SMILESCOc1cccc2c(NC(CO)C3CCC(F)(F)CC3)cc(C)nc12
InChIInChI=1S/C19H24F2N2O2/c1-12-10-15(14-4-3-5-17(25-2)18(14)22-12)23-16(11-24)13-6-8-19(20,21)9-7-13/h3-5,10,13,16,24H,6-9,11H2,1-2H3,(H,22,23)
InChIKeySBJQOQRIGDYMOD-UHFFFAOYSA-N
XLogP4.15
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol (CID 167774460) is 2-(4,4-difluorocyclohexyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol is COc1cccc2c(NC(CO)C3CCC(F)(F)CC3)cc(C)nc12.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol?
The InChIKey is SBJQOQRIGDYMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O2/c1-12-10-15(14-4-3-5-17(25-2)18(14)22-12)23-16(11-24)13-6-8-19(20,21)9-7-13/h3-5,10,13,16,24H,6-9,11H2,1-2H3,(H,22,23).
What are the key properties of 2-(4,4-difluorocyclohexyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol?
2-(4,4-difluorocyclohexyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol has a molecular weight of 350.41 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol is sourced from PubChem (CID 167774460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).