trans-(1S,2S)-2-[(6-chloroquinolin-4-yl)amino]cyclohexan-1-ol

C15H17ClN2O — CID 133495334

IUPACtrans-(1S,2S)-2-[(6-chloroquinolin-4-yl)amino]cyclohexan-1-ol
SMILESO[C@H]1CCCCC1Nc1ccnc2ccc(Cl)cc12
InChIInChI=1S/C15H17ClN2O/c16-10-5-6-12-11(9-10)13(7-8-17-12)18-14-3-1-2-4-15(14)19/h5-9,14-15,19H,1-4H2,(H,17,18)/t14?,15-/m0/s1
InChIKeyUVDQGAGWIIOPDP-LOACHALJSA-N
MW276.77 g/mol
LogP3.60
Rot. Bonds2

About trans-(1S,2S)-2-[(6-chloroquinolin-4-yl)amino]cyclohexan-1-ol

trans-(1S,2S)-2-[(6-chloroquinolin-4-yl)amino]cyclohexan-1-ol (PubChem CID 133495334) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(6-chloroquinolin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(6-chloroquinolin-4-yl)amino]cyclohexan-1-ol
PubChem CID133495334
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Nametrans-(1S,2S)-2-[(6-chloroquinolin-4-yl)amino]cyclohexan-1-ol
SMILESO[C@H]1CCCCC1Nc1ccnc2ccc(Cl)cc12
InChIInChI=1S/C15H17ClN2O/c16-10-5-6-12-11(9-10)13(7-8-17-12)18-14-3-1-2-4-15(14)19/h5-9,14-15,19H,1-4H2,(H,17,18)/t14?,15-/m0/s1
InChIKeyUVDQGAGWIIOPDP-LOACHALJSA-N
XLogP3.60
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze trans-(1S,2S)-2-[(6-chloroquinolin-4-yl)amino]cyclohexan-1-ol 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

trans-(1S,2S)-2-[(6,7-diethoxyquinolin-4-yl)amino]cyclohexan-1-ol
CID 133495450
trans-(1S,2S)-2-(2,5-dichloroanilino)cyclohexan-1-ol
CID 102730840
trans-(1S,2S)-2-(4-chloro-2-fluoroanilino)cyclohexan-1-ol
CID 102731106
trans-(1S,2S)-2-(2,5-dichloroanilino)cyclopentan-1-ol
CID 102732904
6-chloro-N-methylquinolin-4-amine
CID 62192062
trans-(1S,2S)-1-N-benzyl-2-N-(7-chloroquinolin-4-yl)cyclohexane-1,2-diamine
CID 11660608
1-(5-cyclobutyl-1,3-thiazol-2-yl)-3-[4-[(2-hydroxycyclohexyl)amino]quinolin-6-yl]urea
CID 10296837
2-(4-chloro-2-methylanilino)cyclopentan-1-ol
CID 25130591
trans-(1S,2S)-2-(2-bromo-5-chloroanilino)cyclopentan-1-ol
CID 102733775
trans-(1S,2S)-2-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol
CID 133495254
N-(2-chlorocyclohexyl)quinolin-4-amine
CID 65028987
4-(cyclohexylamino)quinolin-6-ol;hydrate;hydrobromide
CID 22417951

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(6-chloroquinolin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(6-chloroquinolin-4-yl)amino]cyclohexan-1-ol (CID 133495334) is trans-(1S,2S)-2-[(6-chloroquinolin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(6-chloroquinolin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(6-chloroquinolin-4-yl)amino]cyclohexan-1-ol is O[C@H]1CCCCC1Nc1ccnc2ccc(Cl)cc12.
What is the InChIKey of trans-(1S,2S)-2-[(6-chloroquinolin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is UVDQGAGWIIOPDP-LOACHALJSA-N. The full InChI is InChI=1S/C15H17ClN2O/c16-10-5-6-12-11(9-10)13(7-8-17-12)18-14-3-1-2-4-15(14)19/h5-9,14-15,19H,1-4H2,(H,17,18)/t14?,15-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(6-chloroquinolin-4-yl)amino]cyclohexan-1-ol?
trans-(1S,2S)-2-[(6-chloroquinolin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 276.77 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(6-chloroquinolin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 133495334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).