N-isoquinolin-8-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

C19H17N3O — CID 167745801

IUPACN-isoquinolin-8-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESO=C(Nc1cccc2ccncc12)c1cccc2c1CCNC2
InChIInChI=1S/C19H17N3O/c23-19(16-5-1-4-14-11-20-10-8-15(14)16)22-18-6-2-3-13-7-9-21-12-17(13)18/h1-7,9,12,20H,8,10-11H2,(H,22,23)
InChIKeyRNJVBTBVYLHTCF-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.13
Rot. Bonds2

About N-isoquinolin-8-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

N-isoquinolin-8-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (PubChem CID 167745801) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is N-isoquinolin-8-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-isoquinolin-8-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
PubChem CID167745801
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC NameN-isoquinolin-8-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESO=C(Nc1cccc2ccncc12)c1cccc2c1CCNC2
InChIInChI=1S/C19H17N3O/c23-19(16-5-1-4-14-11-20-10-8-15(14)16)22-18-6-2-3-13-7-9-21-12-17(13)18/h1-7,9,12,20H,8,10-11H2,(H,22,23)
InChIKeyRNJVBTBVYLHTCF-UHFFFAOYSA-N
XLogP3.13
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557847
N-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557860
N-(1H-indol-4-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide
CID 112526280
N-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557960
N-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557961
N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557913
N-(5-chloro-2-fluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558024
4-fluoro-2-iodo-N-isoquinolin-8-ylbenzamide
CID 103747532
N-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 114387729
N-(2,6-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557984
N-(5-bromo-2-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558783
N-(2-chloro-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557980

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-8-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The IUPAC name of N-isoquinolin-8-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (CID 167745801) is N-isoquinolin-8-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.
What is the SMILES notation for N-isoquinolin-8-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The canonical SMILES for N-isoquinolin-8-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is O=C(Nc1cccc2ccncc12)c1cccc2c1CCNC2.
What is the InChIKey of N-isoquinolin-8-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The InChIKey is RNJVBTBVYLHTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c23-19(16-5-1-4-14-11-20-10-8-15(14)16)22-18-6-2-3-13-7-9-21-12-17(13)18/h1-7,9,12,20H,8,10-11H2,(H,22,23).
What are the key properties of N-isoquinolin-8-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
N-isoquinolin-8-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-8-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is sourced from PubChem (CID 167745801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).