2-hydroxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide

C16H16N2O2 — CID 63901524

IUPAC2-hydroxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)CNCC2)c1ccccc1O
InChIInChI=1S/C16H16N2O2/c19-15-4-2-1-3-14(15)16(20)18-13-6-5-11-7-8-17-10-12(11)9-13/h1-6,9,17,19H,7-8,10H2,(H,18,20)
InChIKeyZVXUPSIQPOUIFW-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.29
Rot. Bonds2

About 2-hydroxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide

2-hydroxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide (PubChem CID 63901524) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-hydroxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
PubChem CID63901524
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-hydroxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)CNCC2)c1ccccc1O
InChIInChI=1S/C16H16N2O2/c19-15-4-2-1-3-14(15)16(20)18-13-6-5-11-7-8-17-10-12(11)9-13/h1-6,9,17,19H,7-8,10H2,(H,18,20)
InChIKeyZVXUPSIQPOUIFW-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901931
2,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide;hydrochloride
CID 119581059
2-bromo-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 107983127
3-chloro-2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 107098171
2-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide;hydrochloride
CID 75495881
2,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901319
2,5-dibromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 114374394
2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyridine-3-carboxamide
CID 63900928
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)furan-3-carboxamide;hydrochloride
CID 119581069
5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2-oxazole-4-carboxamide
CID 63901115
5-methyl-1-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-4-carboxamide
CID 75495888
1-(4-fluorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea
CID 63901955

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide?
The IUPAC name of 2-hydroxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide (CID 63901524) is 2-hydroxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide.
What is the SMILES notation for 2-hydroxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide?
The canonical SMILES for 2-hydroxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide is O=C(Nc1ccc2c(c1)CNCC2)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide?
The InChIKey is ZVXUPSIQPOUIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-15-4-2-1-3-14(15)16(20)18-13-6-5-11-7-8-17-10-12(11)9-13/h1-6,9,17,19H,7-8,10H2,(H,18,20).
What are the key properties of 2-hydroxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide?
2-hydroxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide has a molecular weight of 268.32 g/mol, XLogP of 2.29, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide is sourced from PubChem (CID 63901524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).