N-hydroxy-7-methylisoquinoline-1-carboxamide

C11H10N2O2 — CID 82574344

IUPACN-hydroxy-7-methylisoquinoline-1-carboxamide
SMILESCc1ccc2ccnc(C(=O)NO)c2c1
InChIInChI=1S/C11H10N2O2/c1-7-2-3-8-4-5-12-10(9(8)6-7)11(14)13-15/h2-6,15H,1H3,(H,13,14)
InChIKeyMXXVMNVBCZGNEU-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.66
Rot. Bonds1

About N-hydroxy-7-methylisoquinoline-1-carboxamide

N-hydroxy-7-methylisoquinoline-1-carboxamide (PubChem CID 82574344) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is N-hydroxy-7-methylisoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-hydroxy-7-methylisoquinoline-1-carboxamide
PubChem CID82574344
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC NameN-hydroxy-7-methylisoquinoline-1-carboxamide
SMILESCc1ccc2ccnc(C(=O)NO)c2c1
InChIInChI=1S/C11H10N2O2/c1-7-2-3-8-4-5-12-10(9(8)6-7)11(14)13-15/h2-6,15H,1H3,(H,13,14)
InChIKeyMXXVMNVBCZGNEU-UHFFFAOYSA-N
XLogP1.66
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

methyl 7-methylisoquinoline-1-carboxylate
CID 82572057
N,7-dimethylisoquinolin-1-amine
CID 59108894
1,7-dimethylisoquinoline
CID 59050335
N-[(3-methylphenyl)methyl]isoquinoline-1-carboxamide
CID 110850819
1-fluoro-7-methylisoquinoline
CID 150517558
7-methylisoquinolin-1-amine
CID 18727905
2-[(7-fluoroisoquinoline-1-carbonyl)amino]acetic acid
CID 82571590
5,6,7-trifluoro-N-hydroxyisoquinoline-1-carboxamide
CID 82574360
4-[(7-methylisoquinolin-1-yl)amino]pyridine-2-carboxylic acid
CID 158111701
7-amino-N-(3-methoxypropyl)isoquinoline-1-carboxamide
CID 82571693
7-methylisoquinolin-1-amine;propane
CID 142933220
5-amino-N,7-dimethylisoquinoline-1-carboxamide
CID 82571826

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-methylisoquinoline-1-carboxamide?
The IUPAC name of N-hydroxy-7-methylisoquinoline-1-carboxamide (CID 82574344) is N-hydroxy-7-methylisoquinoline-1-carboxamide.
What is the SMILES notation for N-hydroxy-7-methylisoquinoline-1-carboxamide?
The canonical SMILES for N-hydroxy-7-methylisoquinoline-1-carboxamide is Cc1ccc2ccnc(C(=O)NO)c2c1.
What is the InChIKey of N-hydroxy-7-methylisoquinoline-1-carboxamide?
The InChIKey is MXXVMNVBCZGNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-7-2-3-8-4-5-12-10(9(8)6-7)11(14)13-15/h2-6,15H,1H3,(H,13,14).
What are the key properties of N-hydroxy-7-methylisoquinoline-1-carboxamide?
N-hydroxy-7-methylisoquinoline-1-carboxamide has a molecular weight of 202.21 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-methylisoquinoline-1-carboxamide is sourced from PubChem (CID 82574344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).