N-(3-hydroxyphenyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C17H18N2O2 — CID 82584448

IUPACN-(3-hydroxyphenyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCc1ccc2c(c1)C(C(=O)Nc1cccc(O)c1)CNC2
InChIInChI=1S/C17H18N2O2/c1-11-5-6-12-9-18-10-16(15(12)7-11)17(21)19-13-3-2-4-14(20)8-13/h2-8,16,18,20H,9-10H2,1H3,(H,19,21)
InChIKeyKFXNSAHRKROIDY-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.53
Rot. Bonds2

About N-(3-hydroxyphenyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

N-(3-hydroxyphenyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 82584448) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID82584448
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-(3-hydroxyphenyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCc1ccc2c(c1)C(C(=O)Nc1cccc(O)c1)CNC2
InChIInChI=1S/C17H18N2O2/c1-11-5-6-12-9-18-10-16(15(12)7-11)17(21)19-13-3-2-4-14(20)8-13/h2-8,16,18,20H,9-10H2,1H3,(H,19,21)
InChIKeyKFXNSAHRKROIDY-UHFFFAOYSA-N
XLogP2.53
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260503
N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65261026
N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65261022
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260610
3-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]propanoic acid
CID 82584306
5-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 82584358
N-(3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 63006855
(3R)-N-(3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 94916708
N-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 82584264
methyl 2-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate
CID 82584290
(4-aminopiperidin-1-yl)-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 82584464
N-(3-hydroxyphenyl)-N'-(3-methylphenyl)oxamide
CID 10445826

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-(3-hydroxyphenyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 82584448) is N-(3-hydroxyphenyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-(3-hydroxyphenyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is Cc1ccc2c(c1)C(C(=O)Nc1cccc(O)c1)CNC2.
What is the InChIKey of N-(3-hydroxyphenyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is KFXNSAHRKROIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11-5-6-12-9-18-10-16(15(12)7-11)17(21)19-13-3-2-4-14(20)8-13/h2-8,16,18,20H,9-10H2,1H3,(H,19,21).
What are the key properties of N-(3-hydroxyphenyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-(3-hydroxyphenyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 82584448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).