2-(cyclopropylmethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide

C14H14N2O3 — CID 87413173

IUPAC2-(cyclopropylmethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide
SMILESO=C(NO)c1ccc2ccn(CC3CC3)c(=O)c2c1
InChIInChI=1S/C14H14N2O3/c17-13(15-19)11-4-3-10-5-6-16(8-9-1-2-9)14(18)12(10)7-11/h3-7,9,19H,1-2,8H2,(H,15,17)
InChIKeyWMJQAGBFYQXWHK-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.53
Rot. Bonds3

About 2-(cyclopropylmethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide

2-(cyclopropylmethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide (PubChem CID 87413173) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide
PubChem CID87413173
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-(cyclopropylmethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide
SMILESO=C(NO)c1ccc2ccn(CC3CC3)c(=O)c2c1
InChIInChI=1S/C14H14N2O3/c17-13(15-19)11-4-3-10-5-6-16(8-9-1-2-9)14(18)12(10)7-11/h3-7,9,19H,1-2,8H2,(H,15,17)
InChIKeyWMJQAGBFYQXWHK-UHFFFAOYSA-N
XLogP1.53
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-7-carboxamide
CID 88582092
2-(3-amino-3-oxopropyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide
CID 87337782
2-[(2,4-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide
CID 87413145
2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide
CID 87337589
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
2-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide
CID 87413083
N-hydroxy-2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-oxoisoquinoline-7-carboxamide
CID 87413163
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
1-[1-(cyclopentylmethyl)indol-6-yl]ethanone
CID 115106717
N-hydroxy-1-[(2-sulfanylphenyl)methyl]indole-6-carboxamide
CID 90714673
N-hydroxy-1-[(3-sulfanylphenyl)methyl]indole-6-carboxamide
CID 90934184

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide?
The IUPAC name of 2-(cyclopropylmethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide (CID 87413173) is 2-(cyclopropylmethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide.
What is the SMILES notation for 2-(cyclopropylmethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide?
The canonical SMILES for 2-(cyclopropylmethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide is O=C(NO)c1ccc2ccn(CC3CC3)c(=O)c2c1.
What is the InChIKey of 2-(cyclopropylmethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide?
The InChIKey is WMJQAGBFYQXWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-13(15-19)11-4-3-10-5-6-16(8-9-1-2-9)14(18)12(10)7-11/h3-7,9,19H,1-2,8H2,(H,15,17).
What are the key properties of 2-(cyclopropylmethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide?
2-(cyclopropylmethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide is sourced from PubChem (CID 87413173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).