N-hydroxy-1-oxo-2-(3-pyridin-3-ylphenyl)isoquinoline-7-carboxamide

C21H15N3O3 — CID 118870265

IUPACN-hydroxy-1-oxo-2-(3-pyridin-3-ylphenyl)isoquinoline-7-carboxamide
SMILESO=C(NO)c1ccc2ccn(-c3cccc(-c4cccnc4)c3)c(=O)c2c1
InChIInChI=1S/C21H15N3O3/c25-20(23-27)16-7-6-14-8-10-24(21(26)19(14)12-16)18-5-1-3-15(11-18)17-4-2-9-22-13-17/h1-13,27H,(H,23,25)
InChIKeyGGAFKBAFGUCQIV-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.17
Rot. Bonds3

About N-hydroxy-1-oxo-2-(3-pyridin-3-ylphenyl)isoquinoline-7-carboxamide

N-hydroxy-1-oxo-2-(3-pyridin-3-ylphenyl)isoquinoline-7-carboxamide (PubChem CID 118870265) has the molecular formula C21H15N3O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-hydroxy-1-oxo-2-(3-pyridin-3-ylphenyl)isoquinoline-7-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-oxo-2-(3-pyridin-3-ylphenyl)isoquinoline-7-carboxamide
PubChem CID118870265
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC NameN-hydroxy-1-oxo-2-(3-pyridin-3-ylphenyl)isoquinoline-7-carboxamide
SMILESO=C(NO)c1ccc2ccn(-c3cccc(-c4cccnc4)c3)c(=O)c2c1
InChIInChI=1S/C21H15N3O3/c25-20(23-27)16-7-6-14-8-10-24(21(26)19(14)12-16)18-5-1-3-15(11-18)17-4-2-9-22-13-17/h1-13,27H,(H,23,25)
InChIKeyGGAFKBAFGUCQIV-UHFFFAOYSA-N
XLogP3.17
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-oxo-2-(3-pyridin-3-ylphenyl)isoquinoline-7-carboxamide?
The IUPAC name of N-hydroxy-1-oxo-2-(3-pyridin-3-ylphenyl)isoquinoline-7-carboxamide (CID 118870265) is N-hydroxy-1-oxo-2-(3-pyridin-3-ylphenyl)isoquinoline-7-carboxamide.
What is the SMILES notation for N-hydroxy-1-oxo-2-(3-pyridin-3-ylphenyl)isoquinoline-7-carboxamide?
The canonical SMILES for N-hydroxy-1-oxo-2-(3-pyridin-3-ylphenyl)isoquinoline-7-carboxamide is O=C(NO)c1ccc2ccn(-c3cccc(-c4cccnc4)c3)c(=O)c2c1.
What is the InChIKey of N-hydroxy-1-oxo-2-(3-pyridin-3-ylphenyl)isoquinoline-7-carboxamide?
The InChIKey is GGAFKBAFGUCQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3/c25-20(23-27)16-7-6-14-8-10-24(21(26)19(14)12-16)18-5-1-3-15(11-18)17-4-2-9-22-13-17/h1-13,27H,(H,23,25).
What are the key properties of N-hydroxy-1-oxo-2-(3-pyridin-3-ylphenyl)isoquinoline-7-carboxamide?
N-hydroxy-1-oxo-2-(3-pyridin-3-ylphenyl)isoquinoline-7-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-oxo-2-(3-pyridin-3-ylphenyl)isoquinoline-7-carboxamide is sourced from PubChem (CID 118870265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).