N-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

C17H18N2O2 — CID 104557860

IUPACN-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cccc2c1CCNC2
InChIInChI=1S/C17H18N2O2/c1-21-16-8-3-2-7-15(16)19-17(20)14-6-4-5-12-11-18-10-9-13(12)14/h2-8,18H,9-11H2,1H3,(H,19,20)
InChIKeyOHLJCRKUPYLGOM-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.59
Rot. Bonds3

About N-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

N-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (PubChem CID 104557860) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
PubChem CID104557860
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cccc2c1CCNC2
InChIInChI=1S/C17H18N2O2/c1-21-16-8-3-2-7-15(16)19-17(20)14-6-4-5-12-11-18-10-9-13(12)14/h2-8,18H,9-11H2,1H3,(H,19,20)
InChIKeyOHLJCRKUPYLGOM-UHFFFAOYSA-N
XLogP2.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 43808436
N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557913
N-(2-chloro-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557980
N-(5-chloro-2-fluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558024
N-(2,6-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557984
N-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 167985312
N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 113426614
N-(5-bromo-2-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558783
N-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557960
2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 762850
N-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557961
2,4-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 43808455

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (CID 104557860) is N-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is COc1ccccc1NC(=O)c1cccc2c1CCNC2.
What is the InChIKey of N-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The InChIKey is OHLJCRKUPYLGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-21-16-8-3-2-7-15(16)19-17(20)14-6-4-5-12-11-18-10-9-13(12)14/h2-8,18H,9-11H2,1H3,(H,19,20).
What are the key properties of N-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
N-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is sourced from PubChem (CID 104557860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).