N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C17H18N2O2 — CID 65261026

IUPACN-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCOc1cccc(NC(=O)C2CNCc3ccccc32)c1
InChIInChI=1S/C17H18N2O2/c1-21-14-7-4-6-13(9-14)19-17(20)16-11-18-10-12-5-2-3-8-15(12)16/h2-9,16,18H,10-11H2,1H3,(H,19,20)
InChIKeyRVAGBFSGWPVBDB-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.52
Rot. Bonds3

About N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 65261026) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID65261026
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCOc1cccc(NC(=O)C2CNCc3ccccc32)c1
InChIInChI=1S/C17H18N2O2/c1-21-14-7-4-6-13(9-14)19-17(20)16-11-18-10-12-5-2-3-8-15(12)16/h2-9,16,18H,10-11H2,1H3,(H,19,20)
InChIKeyRVAGBFSGWPVBDB-UHFFFAOYSA-N
XLogP2.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260503
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260610
N-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 82584264
N-(3-hydroxyphenyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 82584448
N-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260797
N-(4-cyanophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260692
N-(2,5-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260736
N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260739
N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65261022
N-(3-methoxyphenyl)-9H-xanthene-9-carboxamide
CID 669610
5-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 82584358
N-(3-bromo-2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 107625201

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 65261026) is N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is COc1cccc(NC(=O)C2CNCc3ccccc32)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is RVAGBFSGWPVBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-21-14-7-4-6-13(9-14)19-17(20)16-11-18-10-12-5-2-3-8-15(12)16/h2-9,16,18H,10-11H2,1H3,(H,19,20).
What are the key properties of N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 65261026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).