N-hydroxy-5-methoxyisoquinoline-1-carboxamide

C11H10N2O3 — CID 82574351

IUPACN-hydroxy-5-methoxyisoquinoline-1-carboxamide
SMILESCOc1cccc2c(C(=O)NO)nccc12
InChIInChI=1S/C11H10N2O3/c1-16-9-4-2-3-8-7(9)5-6-12-10(8)11(14)13-15/h2-6,15H,1H3,(H,13,14)
InChIKeyNEJXFDNSRCBDHO-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.36
Rot. Bonds2

About N-hydroxy-5-methoxyisoquinoline-1-carboxamide

N-hydroxy-5-methoxyisoquinoline-1-carboxamide (PubChem CID 82574351) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is N-hydroxy-5-methoxyisoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-methoxyisoquinoline-1-carboxamide
PubChem CID82574351
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC NameN-hydroxy-5-methoxyisoquinoline-1-carboxamide
SMILESCOc1cccc2c(C(=O)NO)nccc12
InChIInChI=1S/C11H10N2O3/c1-16-9-4-2-3-8-7(9)5-6-12-10(8)11(14)13-15/h2-6,15H,1H3,(H,13,14)
InChIKeyNEJXFDNSRCBDHO-UHFFFAOYSA-N
XLogP1.36
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.36
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

2-[(5-methoxyisoquinoline-1-carbonyl)amino]acetic acid
CID 82571596
5-methoxyisoquinoline-1-carboximidamide
CID 82573377
3,4-dimethoxy-N-methylpyridine-2-carboxamide
CID 156506686
methyl 2-[(5-methoxyisoquinolin-1-yl)amino]-3-methylbutanoate
CID 106536071
2-[(5-methoxyisoquinolin-1-yl)amino]ethylurea
CID 106539332
5-[(5-methoxyisoquinolin-1-yl)amino]pentanamide
CID 106238801
2-[(5-methoxyisoquinolin-1-yl)amino]-2-methylbutanoic acid
CID 106536335
3-[(5-methoxyisoquinolin-1-yl)amino]butanamide
CID 106539785
N-ethyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide
CID 106539420
2-cyclopropyl-2-[(5-methoxyisoquinolin-1-yl)amino]acetic acid
CID 106536125
2-[(5-methoxyisoquinolin-1-yl)-methylamino]acetic acid
CID 82571004
5-methoxy-N-pentan-3-ylisoquinolin-1-amine
CID 106537189

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-methoxyisoquinoline-1-carboxamide?
The IUPAC name of N-hydroxy-5-methoxyisoquinoline-1-carboxamide (CID 82574351) is N-hydroxy-5-methoxyisoquinoline-1-carboxamide.
What is the SMILES notation for N-hydroxy-5-methoxyisoquinoline-1-carboxamide?
The canonical SMILES for N-hydroxy-5-methoxyisoquinoline-1-carboxamide is COc1cccc2c(C(=O)NO)nccc12.
What is the InChIKey of N-hydroxy-5-methoxyisoquinoline-1-carboxamide?
The InChIKey is NEJXFDNSRCBDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-16-9-4-2-3-8-7(9)5-6-12-10(8)11(14)13-15/h2-6,15H,1H3,(H,13,14).
What are the key properties of N-hydroxy-5-methoxyisoquinoline-1-carboxamide?
N-hydroxy-5-methoxyisoquinoline-1-carboxamide has a molecular weight of 218.21 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-methoxyisoquinoline-1-carboxamide is sourced from PubChem (CID 82574351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).