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

C16H16N2O2 — CID 65260610

IUPACN-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESO=C(Nc1ccc(O)cc1)C1CNCc2ccccc21
InChIInChI=1S/C16H16N2O2/c19-13-7-5-12(6-8-13)18-16(20)15-10-17-9-11-3-1-2-4-14(11)15/h1-8,15,17,19H,9-10H2,(H,18,20)
InChIKeyBUARTWKTQGCHDC-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.22
Rot. Bonds2

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

N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 65260610) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID65260610
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESO=C(Nc1ccc(O)cc1)C1CNCc2ccccc21
InChIInChI=1S/C16H16N2O2/c19-13-7-5-12(6-8-13)18-16(20)15-10-17-9-11-3-1-2-4-14(11)15/h1-8,15,17,19H,9-10H2,(H,18,20)
InChIKeyBUARTWKTQGCHDC-UHFFFAOYSA-N
XLogP2.22
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyanophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260692
N-(4-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66396911
N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260503
N-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 82584264
N-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260797
N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65261026
N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 166363089
N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260739
N-(1,2-oxazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262162
N-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262068
N-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262075
N-(2,5-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260736

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 65260610) is N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is O=C(Nc1ccc(O)cc1)C1CNCc2ccccc21.
What is the InChIKey of N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is BUARTWKTQGCHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-13-7-5-12(6-8-13)18-16(20)15-10-17-9-11-3-1-2-4-14(11)15/h1-8,15,17,19H,9-10H2,(H,18,20).
What are the key properties of N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 65260610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).