4-(5-thiophen-2-ylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride

C19H21ClN2OS — CID 160602494

IUPAC4-(5-thiophen-2-ylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride
SMILESCl.NC1CCC(Oc2ccc3cnccc3c2-c2cccs2)CC1
InChIInChI=1S/C19H20N2OS.ClH/c20-14-4-6-15(7-5-14)22-17-8-3-13-12-21-10-9-16(13)19(17)18-2-1-11-23-18;/h1-3,8-12,14-15H,4-7,20H2;1H
InChIKeyYAEBXOOUFTUJOZ-UHFFFAOYSA-N
MW360.91 g/mol
LogP5.03
Rot. Bonds3

About 4-(5-thiophen-2-ylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride

4-(5-thiophen-2-ylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride (PubChem CID 160602494) has the molecular formula C19H21ClN2OS and a molecular weight of 360.91 g/mol. Its IUPAC name is 4-(5-thiophen-2-ylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-(5-thiophen-2-ylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride
PubChem CID160602494
Molecular FormulaC19H21ClN2OS
Molecular Weight360.91 g/mol
Exact Mass360.11
IUPAC Name4-(5-thiophen-2-ylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride
SMILESCl.NC1CCC(Oc2ccc3cnccc3c2-c2cccs2)CC1
InChIInChI=1S/C19H20N2OS.ClH/c20-14-4-6-15(7-5-14)22-17-8-3-13-12-21-10-9-16(13)19(17)18-2-1-11-23-18;/h1-3,8-12,14-15H,4-7,20H2;1H
InChIKeyYAEBXOOUFTUJOZ-UHFFFAOYSA-N
XLogP5.03
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.91
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-ethylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride
CID 162316544
6-cycloheptyloxyisoquinolin-5-amine
CID 106948663
5-(3-methylsulfonylphenyl)-6-piperidin-4-yloxyisoquinoline;hydrochloride
CID 162307279
5-ethyl-6-(1-methylpiperidin-4-yl)oxyisoquinoline
CID 70968627
6-(cyclopropylmethoxy)isoquinolin-5-amine
CID 106948623
5-cyclopentyloxyisoquinolin-8-amine
CID 43448847
7,8-dimethoxy-3-thiophen-2-ylisoquinoline
CID 177380109
4-(6,7-dimethoxyquinolin-4-yl)oxycyclohexan-1-amine
CID 139337026
5-cyclohexyloxyisoquinolin-8-amine
CID 43382765
4-thiophen-2-ylisoquinolin-3-amine
CID 138975195
6-methoxy-N-piperidin-4-ylisoquinolin-5-amine
CID 82582664
8-(1-methylpiperidin-4-yl)oxyisoquinolin-5-amine
CID 103139941

Frequently Asked Questions

What is the IUPAC name of 4-(5-thiophen-2-ylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride?
The IUPAC name of 4-(5-thiophen-2-ylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride (CID 160602494) is 4-(5-thiophen-2-ylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 4-(5-thiophen-2-ylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride?
The canonical SMILES for 4-(5-thiophen-2-ylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride is Cl.NC1CCC(Oc2ccc3cnccc3c2-c2cccs2)CC1.
What is the InChIKey of 4-(5-thiophen-2-ylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride?
The InChIKey is YAEBXOOUFTUJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS.ClH/c20-14-4-6-15(7-5-14)22-17-8-3-13-12-21-10-9-16(13)19(17)18-2-1-11-23-18;/h1-3,8-12,14-15H,4-7,20H2;1H.
What are the key properties of 4-(5-thiophen-2-ylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride?
4-(5-thiophen-2-ylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride has a molecular weight of 360.91 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-thiophen-2-ylisoquinolin-6-yl)oxycyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 160602494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).