1-anilinoisoquinoline-6-carboxylic acid

C16H12N2O2 — CID 82571407

IUPAC1-anilinoisoquinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2c(Nc3ccccc3)nccc2c1
InChIInChI=1S/C16H12N2O2/c19-16(20)12-6-7-14-11(10-12)8-9-17-15(14)18-13-4-2-1-3-5-13/h1-10H,(H,17,18)(H,19,20)
InChIKeyHMFUJEYHCJIWKX-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.68
Rot. Bonds3

About 1-anilinoisoquinoline-6-carboxylic acid

1-anilinoisoquinoline-6-carboxylic acid (PubChem CID 82571407) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-anilinoisoquinoline-6-carboxylic acid.

Molecular Properties

Compound Name1-anilinoisoquinoline-6-carboxylic acid
PubChem CID82571407
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name1-anilinoisoquinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2c(Nc3ccccc3)nccc2c1
InChIInChI=1S/C16H12N2O2/c19-16(20)12-6-7-14-11(10-12)8-9-17-15(14)18-13-4-2-1-3-5-13/h1-10H,(H,17,18)(H,19,20)
InChIKeyHMFUJEYHCJIWKX-UHFFFAOYSA-N
XLogP3.68
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-anilinoisoquinoline-6-carboxylic acid?
The IUPAC name of 1-anilinoisoquinoline-6-carboxylic acid (CID 82571407) is 1-anilinoisoquinoline-6-carboxylic acid.
What is the SMILES notation for 1-anilinoisoquinoline-6-carboxylic acid?
The canonical SMILES for 1-anilinoisoquinoline-6-carboxylic acid is O=C(O)c1ccc2c(Nc3ccccc3)nccc2c1.
What is the InChIKey of 1-anilinoisoquinoline-6-carboxylic acid?
The InChIKey is HMFUJEYHCJIWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-16(20)12-6-7-14-11(10-12)8-9-17-15(14)18-13-4-2-1-3-5-13/h1-10H,(H,17,18)(H,19,20).
What are the key properties of 1-anilinoisoquinoline-6-carboxylic acid?
1-anilinoisoquinoline-6-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilinoisoquinoline-6-carboxylic acid is sourced from PubChem (CID 82571407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).