5-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C17H18N2O — CID 82584358

IUPAC5-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCc1cccc2c1C(C(=O)Nc1ccccc1)CNC2
InChIInChI=1S/C17H18N2O/c1-12-6-5-7-13-10-18-11-15(16(12)13)17(20)19-14-8-3-2-4-9-14/h2-9,15,18H,10-11H2,1H3,(H,19,20)
InChIKeyMLMUVPZTBNPZTH-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.82
Rot. Bonds2

About 5-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

5-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 82584358) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID82584358
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name5-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCc1cccc2c1C(C(=O)Nc1ccccc1)CNC2
InChIInChI=1S/C17H18N2O/c1-12-6-5-7-13-10-18-11-15(16(12)13)17(20)19-14-8-3-2-4-9-14/h2-9,15,18H,10-11H2,1H3,(H,19,20)
InChIKeyMLMUVPZTBNPZTH-UHFFFAOYSA-N
XLogP2.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of 5-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 82584358) is 5-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for 5-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for 5-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is Cc1cccc2c1C(C(=O)Nc1ccccc1)CNC2.
What is the InChIKey of 5-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is MLMUVPZTBNPZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-6-5-7-13-10-18-11-15(16(12)13)17(20)19-14-8-3-2-4-9-14/h2-9,15,18H,10-11H2,1H3,(H,19,20).
What are the key properties of 5-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
5-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 82584358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).