N-(2-hydroxy-3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C17H18N2O2 — CID 79590378

IUPACN-(2-hydroxy-3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCc1cccc(NC(=O)C2Cc3ccccc3CN2)c1O
InChIInChI=1S/C17H18N2O2/c1-11-5-4-8-14(16(11)20)19-17(21)15-9-12-6-2-3-7-13(12)10-18-15/h2-8,15,18,20H,9-10H2,1H3,(H,19,21)
InChIKeyKWCVLYJDFBTHCG-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.35
Rot. Bonds2

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

N-(2-hydroxy-3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 79590378) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(2-hydroxy-3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID79590378
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-(2-hydroxy-3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCc1cccc(NC(=O)C2Cc3ccccc3CN2)c1O
InChIInChI=1S/C17H18N2O2/c1-11-5-4-8-14(16(11)20)19-17(21)15-9-12-6-2-3-7-13(12)10-18-15/h2-8,15,18,20H,9-10H2,1H3,(H,19,21)
InChIKeyKWCVLYJDFBTHCG-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromo-2-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 81497243
N-(2-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24690302
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103479491
N-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide
CID 79602150
(3R)-N-(1,3-dimethylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 102805612
N-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 79602563
N-(2,6-dibromophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 107599706
(3S)-N-(3-iodo-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896209
(3S)-N-(4-fluoro-3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896468
(3S)-N-(2,4-dibromophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896196
N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119270632
(3R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 131948570

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-(2-hydroxy-3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 79590378) is N-(2-hydroxy-3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is Cc1cccc(NC(=O)C2Cc3ccccc3CN2)c1O.
What is the InChIKey of N-(2-hydroxy-3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is KWCVLYJDFBTHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11-5-4-8-14(16(11)20)19-17(21)15-9-12-6-2-3-7-13(12)10-18-15/h2-8,15,18,20H,9-10H2,1H3,(H,19,21).
What are the key properties of N-(2-hydroxy-3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-(2-hydroxy-3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 79590378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).