5-bromo-3,4-dihydro-1H-isoquinoline-2-carboxamide

C10H11BrN2O — CID 128960292

IUPAC5-bromo-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESNC(=O)N1CCc2c(Br)cccc2C1
InChIInChI=1S/C10H11BrN2O/c11-9-3-1-2-7-6-13(10(12)14)5-4-8(7)9/h1-3H,4-6H2,(H2,12,14)
InChIKeyJFZIXARQFCWQMM-UHFFFAOYSA-N
MW255.11 g/mol
LogP1.89
Rot. Bonds

About 5-bromo-3,4-dihydro-1H-isoquinoline-2-carboxamide

5-bromo-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 128960292) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 5-bromo-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID128960292
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name5-bromo-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESNC(=O)N1CCc2c(Br)cccc2C1
InChIInChI=1S/C10H11BrN2O/c11-9-3-1-2-7-6-13(10(12)14)5-4-8(7)9/h1-3H,4-6H2,(H2,12,14)
InChIKeyJFZIXARQFCWQMM-UHFFFAOYSA-N
XLogP1.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 5-bromo-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 128960292) is 5-bromo-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 5-bromo-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 5-bromo-3,4-dihydro-1H-isoquinoline-2-carboxamide is NC(=O)N1CCc2c(Br)cccc2C1.
What is the InChIKey of 5-bromo-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is JFZIXARQFCWQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c11-9-3-1-2-7-6-13(10(12)14)5-4-8(7)9/h1-3H,4-6H2,(H2,12,14).
What are the key properties of 5-bromo-3,4-dihydro-1H-isoquinoline-2-carboxamide?
5-bromo-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 255.11 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 128960292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).