4-[(7-chloro-4-methylquinolin-2-yl)amino]cyclohexan-1-ol

C16H19ClN2O — CID 31196506

IUPAC4-[(7-chloro-4-methylquinolin-2-yl)amino]cyclohexan-1-ol
SMILESCc1cc(NC2CCC(O)CC2)nc2cc(Cl)ccc12
InChIInChI=1S/C16H19ClN2O/c1-10-8-16(18-12-3-5-13(20)6-4-12)19-15-9-11(17)2-7-14(10)15/h2,7-9,12-13,20H,3-6H2,1H3,(H,18,19)
InChIKeyAYMRLMUVPDLCSW-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.91
Rot. Bonds2

About 4-[(7-chloro-4-methylquinolin-2-yl)amino]cyclohexan-1-ol

4-[(7-chloro-4-methylquinolin-2-yl)amino]cyclohexan-1-ol (PubChem CID 31196506) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 4-[(7-chloro-4-methylquinolin-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(7-chloro-4-methylquinolin-2-yl)amino]cyclohexan-1-ol
PubChem CID31196506
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name4-[(7-chloro-4-methylquinolin-2-yl)amino]cyclohexan-1-ol
SMILESCc1cc(NC2CCC(O)CC2)nc2cc(Cl)ccc12
InChIInChI=1S/C16H19ClN2O/c1-10-8-16(18-12-3-5-13(20)6-4-12)19-15-9-11(17)2-7-14(10)15/h2,7-9,12-13,20H,3-6H2,1H3,(H,18,19)
InChIKeyAYMRLMUVPDLCSW-UHFFFAOYSA-N
XLogP3.91
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-chloro-4-methylquinolin-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(7-chloro-4-methylquinolin-2-yl)amino]cyclohexan-1-ol (CID 31196506) is 4-[(7-chloro-4-methylquinolin-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(7-chloro-4-methylquinolin-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(7-chloro-4-methylquinolin-2-yl)amino]cyclohexan-1-ol is Cc1cc(NC2CCC(O)CC2)nc2cc(Cl)ccc12.
What is the InChIKey of 4-[(7-chloro-4-methylquinolin-2-yl)amino]cyclohexan-1-ol?
The InChIKey is AYMRLMUVPDLCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-10-8-16(18-12-3-5-13(20)6-4-12)19-15-9-11(17)2-7-14(10)15/h2,7-9,12-13,20H,3-6H2,1H3,(H,18,19).
What are the key properties of 4-[(7-chloro-4-methylquinolin-2-yl)amino]cyclohexan-1-ol?
4-[(7-chloro-4-methylquinolin-2-yl)amino]cyclohexan-1-ol has a molecular weight of 290.79 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-chloro-4-methylquinolin-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 31196506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).