1,2,3,4-tetrahydroisoquinoline-7-carboxamide

C10H12N2O — CID 10727294

IUPAC1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESNC(=O)c1ccc2c(c1)CNCC2
InChIInChI=1S/C10H12N2O/c11-10(13)8-2-1-7-3-4-12-6-9(7)5-8/h1-2,5,12H,3-4,6H2,(H2,11,13)
InChIKeyDPCGMMLZFLMVGJ-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.43
Rot. Bonds1

About 1,2,3,4-tetrahydroisoquinoline-7-carboxamide

1,2,3,4-tetrahydroisoquinoline-7-carboxamide (PubChem CID 10727294) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroisoquinoline-7-carboxamide.

Molecular Properties

Compound Name1,2,3,4-tetrahydroisoquinoline-7-carboxamide
PubChem CID10727294
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESNC(=O)c1ccc2c(c1)CNCC2
InChIInChI=1S/C10H12N2O/c11-10(13)8-2-1-7-3-4-12-6-9(7)5-8/h1-2,5,12H,3-4,6H2,(H2,11,13)
InChIKeyDPCGMMLZFLMVGJ-UHFFFAOYSA-N
XLogP0.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The IUPAC name of 1,2,3,4-tetrahydroisoquinoline-7-carboxamide (CID 10727294) is 1,2,3,4-tetrahydroisoquinoline-7-carboxamide.
What is the SMILES notation for 1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The canonical SMILES for 1,2,3,4-tetrahydroisoquinoline-7-carboxamide is NC(=O)c1ccc2c(c1)CNCC2.
What is the InChIKey of 1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The InChIKey is DPCGMMLZFLMVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c11-10(13)8-2-1-7-3-4-12-6-9(7)5-8/h1-2,5,12H,3-4,6H2,(H2,11,13).
What are the key properties of 1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
1,2,3,4-tetrahydroisoquinoline-7-carboxamide has a molecular weight of 176.22 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroisoquinoline-7-carboxamide is sourced from PubChem (CID 10727294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).