1,2-dihydroisoquinoline-7-carboxamide

C10H10N2O — CID 67281504

IUPAC1,2-dihydroisoquinoline-7-carboxamide
SMILESNC(=O)c1ccc2c(c1)CNC=C2
InChIInChI=1S/C10H10N2O/c11-10(13)8-2-1-7-3-4-12-6-9(7)5-8/h1-5,12H,6H2,(H2,11,13)
InChIKeyOHWJRIJFKQXPJW-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.86
Rot. Bonds1

About 1,2-dihydroisoquinoline-7-carboxamide

1,2-dihydroisoquinoline-7-carboxamide (PubChem CID 67281504) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 1,2-dihydroisoquinoline-7-carboxamide.

Molecular Properties

Compound Name1,2-dihydroisoquinoline-7-carboxamide
PubChem CID67281504
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name1,2-dihydroisoquinoline-7-carboxamide
SMILESNC(=O)c1ccc2c(c1)CNC=C2
InChIInChI=1S/C10H10N2O/c11-10(13)8-2-1-7-3-4-12-6-9(7)5-8/h1-5,12H,6H2,(H2,11,13)
InChIKeyOHWJRIJFKQXPJW-UHFFFAOYSA-N
XLogP0.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroisoquinoline-7-carboxamide?
The IUPAC name of 1,2-dihydroisoquinoline-7-carboxamide (CID 67281504) is 1,2-dihydroisoquinoline-7-carboxamide.
What is the SMILES notation for 1,2-dihydroisoquinoline-7-carboxamide?
The canonical SMILES for 1,2-dihydroisoquinoline-7-carboxamide is NC(=O)c1ccc2c(c1)CNC=C2.
What is the InChIKey of 1,2-dihydroisoquinoline-7-carboxamide?
The InChIKey is OHWJRIJFKQXPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c11-10(13)8-2-1-7-3-4-12-6-9(7)5-8/h1-5,12H,6H2,(H2,11,13).
What are the key properties of 1,2-dihydroisoquinoline-7-carboxamide?
1,2-dihydroisoquinoline-7-carboxamide has a molecular weight of 174.20 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroisoquinoline-7-carboxamide is sourced from PubChem (CID 67281504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).