N-(3-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide

C16H16N2O2 — CID 110489199

IUPACN-(3-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1cccc2c1CNCC2
InChIInChI=1S/C16H16N2O2/c19-13-5-2-4-12(9-13)18-16(20)14-6-1-3-11-7-8-17-10-15(11)14/h1-6,9,17,19H,7-8,10H2,(H,18,20)
InChIKeySIXCEGDPMBPGIY-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.29
Rot. Bonds2

About N-(3-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide

N-(3-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide (PubChem CID 110489199) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
PubChem CID110489199
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-(3-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1cccc2c1CNCC2
InChIInChI=1S/C16H16N2O2/c19-13-5-2-4-12(9-13)18-16(20)14-6-1-3-11-7-8-17-10-15(11)14/h1-6,9,17,19H,7-8,10H2,(H,18,20)
InChIKeySIXCEGDPMBPGIY-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-hydroxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901524
N-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557847
methyl 1,2,3,4-tetrahydroisoquinoline-8-carboxylate
CID 45074001
N-(4-chloro-3-fluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558127
2-amino-N-(3-hydroxyphenyl)benzamide
CID 3596059
N-(2,6-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557984
2,3-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901931
3-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 114491033
2,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide;hydrochloride
CID 119581059
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)furan-3-carboxamide
CID 114490943
N-(7-methoxy-1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
CID 166343195
4-acetamido-N-(3-hydroxyphenyl)benzamide
CID 110463964

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide?
The IUPAC name of N-(3-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide (CID 110489199) is N-(3-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide?
The canonical SMILES for N-(3-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide is O=C(Nc1cccc(O)c1)c1cccc2c1CNCC2.
What is the InChIKey of N-(3-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide?
The InChIKey is SIXCEGDPMBPGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-13-5-2-4-12(9-13)18-16(20)14-6-1-3-11-7-8-17-10-15(11)14/h1-6,9,17,19H,7-8,10H2,(H,18,20).
What are the key properties of N-(3-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide?
N-(3-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide 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 N-(3-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide is sourced from PubChem (CID 110489199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).