4-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride

C20H23ClN2O — CID 175851865

IUPAC4-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
SMILESCl.NC(=O)C1NCc2ccccc2C1C1CCCc2ccccc21
InChIInChI=1S/C20H22N2O.ClH/c21-20(23)19-18(16-10-4-2-7-14(16)12-22-19)17-11-5-8-13-6-1-3-9-15(13)17;/h1-4,6-7,9-10,17-19,22H,5,8,11-12H2,(H2,21,23);1H
InChIKeyYIIWMEOLMXJNDB-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.27
Rot. Bonds2

About 4-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride

4-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride (PubChem CID 175851865) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
PubChem CID175851865
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name4-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
SMILESCl.NC(=O)C1NCc2ccccc2C1C1CCCc2ccccc21
InChIInChI=1S/C20H22N2O.ClH/c21-20(23)19-18(16-10-4-2-7-14(16)12-22-19)17-11-5-8-13-6-1-3-9-15(13)17;/h1-4,6-7,9-10,17-19,22H,5,8,11-12H2,(H2,21,23);1H
InChIKeyYIIWMEOLMXJNDB-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The IUPAC name of 4-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride (CID 175851865) is 4-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The canonical SMILES for 4-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride is Cl.NC(=O)C1NCc2ccccc2C1C1CCCc2ccccc21.
What is the InChIKey of 4-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The InChIKey is YIIWMEOLMXJNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O.ClH/c21-20(23)19-18(16-10-4-2-7-14(16)12-22-19)17-11-5-8-13-6-1-3-9-15(13)17;/h1-4,6-7,9-10,17-19,22H,5,8,11-12H2,(H2,21,23);1H.
What are the key properties of 4-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
4-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 175851865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).