[1]benzothiolo[3,2-h]isoquinoline-6-carboxamide

C16H10N2OS — CID 5274983

IUPAC[1]benzothiolo[3,2-h]isoquinoline-6-carboxamide
SMILESNC(=O)c1cc2ccncc2c2sc3ccccc3c12
InChIInChI=1S/C16H10N2OS/c17-16(19)11-7-9-5-6-18-8-12(9)15-14(11)10-3-1-2-4-13(10)20-15/h1-8H,(H2,17,19)
InChIKeyOXGSQLSATTWJKY-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.70
Rot. Bonds1

About [1]benzothiolo[3,2-h]isoquinoline-6-carboxamide

[1]benzothiolo[3,2-h]isoquinoline-6-carboxamide (PubChem CID 5274983) has the molecular formula C16H10N2OS and a molecular weight of 278.34 g/mol. Its IUPAC name is [1]benzothiolo[3,2-h]isoquinoline-6-carboxamide.

Molecular Properties

Compound Name[1]benzothiolo[3,2-h]isoquinoline-6-carboxamide
PubChem CID5274983
Molecular FormulaC16H10N2OS
Molecular Weight278.34 g/mol
Exact Mass278.05
IUPAC Name[1]benzothiolo[3,2-h]isoquinoline-6-carboxamide
SMILESNC(=O)c1cc2ccncc2c2sc3ccccc3c12
InChIInChI=1S/C16H10N2OS/c17-16(19)11-7-9-5-6-18-8-12(9)15-14(11)10-3-1-2-4-13(10)20-15/h1-8H,(H2,17,19)
InChIKeyOXGSQLSATTWJKY-UHFFFAOYSA-N
XLogP3.70
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1]benzothiolo[3,2-h]isoquinoline-6-carboxamide?
The IUPAC name of [1]benzothiolo[3,2-h]isoquinoline-6-carboxamide (CID 5274983) is [1]benzothiolo[3,2-h]isoquinoline-6-carboxamide.
What is the SMILES notation for [1]benzothiolo[3,2-h]isoquinoline-6-carboxamide?
The canonical SMILES for [1]benzothiolo[3,2-h]isoquinoline-6-carboxamide is NC(=O)c1cc2ccncc2c2sc3ccccc3c12.
What is the InChIKey of [1]benzothiolo[3,2-h]isoquinoline-6-carboxamide?
The InChIKey is OXGSQLSATTWJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2OS/c17-16(19)11-7-9-5-6-18-8-12(9)15-14(11)10-3-1-2-4-13(10)20-15/h1-8H,(H2,17,19).
What are the key properties of [1]benzothiolo[3,2-h]isoquinoline-6-carboxamide?
[1]benzothiolo[3,2-h]isoquinoline-6-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzothiolo[3,2-h]isoquinoline-6-carboxamide is sourced from PubChem (CID 5274983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).