4-hydroxy-6-phenylisoquinoline-3-carboxamide

C16H12N2O2 — CID 69329318

IUPAC4-hydroxy-6-phenylisoquinoline-3-carboxamide
SMILESNC(=O)c1ncc2ccc(-c3ccccc3)cc2c1O
InChIInChI=1S/C16H12N2O2/c17-16(20)14-15(19)13-8-11(6-7-12(13)9-18-14)10-4-2-1-3-5-10/h1-9,19H,(H2,17,20)
InChIKeyUPDLGSAVXGCGTA-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.71
Rot. Bonds2

About 4-hydroxy-6-phenylisoquinoline-3-carboxamide

4-hydroxy-6-phenylisoquinoline-3-carboxamide (PubChem CID 69329318) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-hydroxy-6-phenylisoquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-6-phenylisoquinoline-3-carboxamide
PubChem CID69329318
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name4-hydroxy-6-phenylisoquinoline-3-carboxamide
SMILESNC(=O)c1ncc2ccc(-c3ccccc3)cc2c1O
InChIInChI=1S/C16H12N2O2/c17-16(20)14-15(19)13-8-11(6-7-12(13)9-18-14)10-4-2-1-3-5-10/h1-9,19H,(H2,17,20)
InChIKeyUPDLGSAVXGCGTA-UHFFFAOYSA-N
XLogP2.71
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-phenylisoquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-6-phenylisoquinoline-3-carboxamide (CID 69329318) is 4-hydroxy-6-phenylisoquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-6-phenylisoquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-6-phenylisoquinoline-3-carboxamide is NC(=O)c1ncc2ccc(-c3ccccc3)cc2c1O.
What is the InChIKey of 4-hydroxy-6-phenylisoquinoline-3-carboxamide?
The InChIKey is UPDLGSAVXGCGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c17-16(20)14-15(19)13-8-11(6-7-12(13)9-18-14)10-4-2-1-3-5-10/h1-9,19H,(H2,17,20).
What are the key properties of 4-hydroxy-6-phenylisoquinoline-3-carboxamide?
4-hydroxy-6-phenylisoquinoline-3-carboxamide has a molecular weight of 264.28 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-phenylisoquinoline-3-carboxamide is sourced from PubChem (CID 69329318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).