2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide

C19H18N2O5 — CID 87337589

IUPAC2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide
SMILESCOc1cc(Cn2ccc3ccc(C(=O)NO)cc3c2=O)cc(OC)c1
InChIInChI=1S/C19H18N2O5/c1-25-15-7-12(8-16(10-15)26-2)11-21-6-5-13-3-4-14(18(22)20-24)9-17(13)19(21)23/h3-10,24H,11H2,1-2H3,(H,20,22)
InChIKeyMZHDDGRFAZHBMQ-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.19
Rot. Bonds5

About 2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide

2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide (PubChem CID 87337589) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide.

Molecular Properties

Compound Name2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide
PubChem CID87337589
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide
SMILESCOc1cc(Cn2ccc3ccc(C(=O)NO)cc3c2=O)cc(OC)c1
InChIInChI=1S/C19H18N2O5/c1-25-15-7-12(8-16(10-15)26-2)11-21-6-5-13-3-4-14(18(22)20-24)9-17(13)19(21)23/h3-10,24H,11H2,1-2H3,(H,20,22)
InChIKeyMZHDDGRFAZHBMQ-UHFFFAOYSA-N
XLogP2.19
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

2-[(2,4-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide
CID 87413145
2-(3-amino-3-oxopropyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide
CID 87337782
2-(cyclopropylmethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide
CID 87413173
1-[(3,5-dimethoxyphenyl)methyl]-N-hydroxyindole-6-carbothioamide
CID 42647188
N-hydroxy-2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-oxoisoquinoline-7-carboxamide
CID 87413163
N-hydroxy-1-[(6-methoxy-3-pyridinyl)methyl]indole-6-carboxamide
CID 45276554
N-hydroxy-1-oxo-2-[3-(4-phenoxyphenoxy)propyl]isoquinoline-7-carboxamide
CID 87688679
N-hydroxy-1-[[4-(hydroxycarbamoyl)phenyl]methyl]indole-6-carboxamide
CID 146035570
6-methoxy-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one
CID 127034647
3-[(3-fluoro-5-methoxyphenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide
CID 87265978
N-hydroxy-4-[[5-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide
CID 122584647
1,2-dibromoethane;N-hydroxy-2-(2-hydroxyethyl)-1-oxoisoquinoline-7-carboxamide;methanol;methyl 2-(2-hydroxyethyl)-1-oxoisoquinoline-7-carboxylate;methyl 1-oxo-2H-isoquinoline-7-carboxylate
CID 157209282

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide?
The IUPAC name of 2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide (CID 87337589) is 2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide.
What is the SMILES notation for 2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide?
The canonical SMILES for 2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide is COc1cc(Cn2ccc3ccc(C(=O)NO)cc3c2=O)cc(OC)c1.
What is the InChIKey of 2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide?
The InChIKey is MZHDDGRFAZHBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-25-15-7-12(8-16(10-15)26-2)11-21-6-5-13-3-4-14(18(22)20-24)9-17(13)19(21)23/h3-10,24H,11H2,1-2H3,(H,20,22).
What are the key properties of 2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide?
2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide is sourced from PubChem (CID 87337589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).