6,8-dichloroisoquinoline-1-carboxamide

C10H6Cl2N2O — CID 82573949

IUPAC6,8-dichloroisoquinoline-1-carboxamide
SMILESNC(=O)c1nccc2cc(Cl)cc(Cl)c12
InChIInChI=1S/C10H6Cl2N2O/c11-6-3-5-1-2-14-9(10(13)15)8(5)7(12)4-6/h1-4H,(H2,13,15)
InChIKeyXAVMQNAFASXDHT-UHFFFAOYSA-N
MW241.08 g/mol
LogP2.64
Rot. Bonds1

About 6,8-dichloroisoquinoline-1-carboxamide

6,8-dichloroisoquinoline-1-carboxamide (PubChem CID 82573949) has the molecular formula C10H6Cl2N2O and a molecular weight of 241.08 g/mol. Its IUPAC name is 6,8-dichloroisoquinoline-1-carboxamide.

Molecular Properties

Compound Name6,8-dichloroisoquinoline-1-carboxamide
PubChem CID82573949
Molecular FormulaC10H6Cl2N2O
Molecular Weight241.08 g/mol
Exact Mass239.99
IUPAC Name6,8-dichloroisoquinoline-1-carboxamide
SMILESNC(=O)c1nccc2cc(Cl)cc(Cl)c12
InChIInChI=1S/C10H6Cl2N2O/c11-6-3-5-1-2-14-9(10(13)15)8(5)7(12)4-6/h1-4H,(H2,13,15)
InChIKeyXAVMQNAFASXDHT-UHFFFAOYSA-N
XLogP2.64
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloroisoquinoline-1-carboxamide?
The IUPAC name of 6,8-dichloroisoquinoline-1-carboxamide (CID 82573949) is 6,8-dichloroisoquinoline-1-carboxamide.
What is the SMILES notation for 6,8-dichloroisoquinoline-1-carboxamide?
The canonical SMILES for 6,8-dichloroisoquinoline-1-carboxamide is NC(=O)c1nccc2cc(Cl)cc(Cl)c12.
What is the InChIKey of 6,8-dichloroisoquinoline-1-carboxamide?
The InChIKey is XAVMQNAFASXDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O/c11-6-3-5-1-2-14-9(10(13)15)8(5)7(12)4-6/h1-4H,(H2,13,15).
What are the key properties of 6,8-dichloroisoquinoline-1-carboxamide?
6,8-dichloroisoquinoline-1-carboxamide has a molecular weight of 241.08 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloroisoquinoline-1-carboxamide is sourced from PubChem (CID 82573949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).