N-hydroxy-7-methoxy-1-[(5-oxopyrrolidin-2-yl)methoxy]isoquinoline-6-carboxamide

C16H17N3O5 — CID 142580620

IUPACN-hydroxy-7-methoxy-1-[(5-oxopyrrolidin-2-yl)methoxy]isoquinoline-6-carboxamide
SMILESCOc1cc2c(OCC3CCC(=O)N3)nccc2cc1C(=O)NO
InChIInChI=1S/C16H17N3O5/c1-23-13-7-11-9(6-12(13)15(21)19-22)4-5-17-16(11)24-8-10-2-3-14(20)18-10/h4-7,10,22H,2-3,8H2,1H3,(H,18,20)(H,19,21)
InChIKeyHRZKVVZZTHYCFV-UHFFFAOYSA-N
MW331.33 g/mol
LogP1.02
Rot. Bonds5

About N-hydroxy-7-methoxy-1-[(5-oxopyrrolidin-2-yl)methoxy]isoquinoline-6-carboxamide

N-hydroxy-7-methoxy-1-[(5-oxopyrrolidin-2-yl)methoxy]isoquinoline-6-carboxamide (PubChem CID 142580620) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is N-hydroxy-7-methoxy-1-[(5-oxopyrrolidin-2-yl)methoxy]isoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-hydroxy-7-methoxy-1-[(5-oxopyrrolidin-2-yl)methoxy]isoquinoline-6-carboxamide
PubChem CID142580620
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC NameN-hydroxy-7-methoxy-1-[(5-oxopyrrolidin-2-yl)methoxy]isoquinoline-6-carboxamide
SMILESCOc1cc2c(OCC3CCC(=O)N3)nccc2cc1C(=O)NO
InChIInChI=1S/C16H17N3O5/c1-23-13-7-11-9(6-12(13)15(21)19-22)4-5-17-16(11)24-8-10-2-3-14(20)18-10/h4-7,10,22H,2-3,8H2,1H3,(H,18,20)(H,19,21)
InChIKeyHRZKVVZZTHYCFV-UHFFFAOYSA-N
XLogP1.02
TPSA109.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 51.02
H-Bond Donors ≤ 53
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

7-methoxy-1-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]isoquinoline-6-carbothioic S-acid
CID 142580683
[7-methoxy-1-[(5-oxopyrrolidin-2-yl)methoxy]isoquinolin-6-yl]thiourea
CID 155092768
5-[(6-bromoisoquinolin-1-yl)oxymethyl]pyrrolidin-2-one
CID 123341337
7-(oxetan-3-yloxy)-1-[(5-oxopyrrolidin-2-yl)methoxy]isoquinoline-6-carboxamide
CID 166972503
5-[(5-oxopyrrolidin-2-yl)methoxy]-1,3-dihydroimidazo[4,5-g]isoquinolin-2-one
CID 142580621
4-ethyl-6-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-2H-pyrido[3,4-g]isoquinolin-1-one
CID 169212825
5-methoxy-3-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]-1,2-benzothiazole-6-carboxamide
CID 164809244
1-[[(4S)-4-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 166972613
7-methoxy-1-[[(2S,4S)-4-(oxetan-3-yl)-5-oxopyrrolidin-2-yl]methoxy]isoquinoline-6-carboxamide
CID 118414738
1-[2-[(2S)-5-oxopyrrolidin-2-yl]ethoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 134214180
7-[(Z)-1-(azetidin-3-yl)-2-(methylamino)ethenyl]-1-[(5-oxopyrrolidin-2-yl)methoxy]isoquinoline-6-carbaldehyde
CID 169212800
1-[[(2S,3R,4R)-3,4-dimethyl-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 118414733

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-methoxy-1-[(5-oxopyrrolidin-2-yl)methoxy]isoquinoline-6-carboxamide?
The IUPAC name of N-hydroxy-7-methoxy-1-[(5-oxopyrrolidin-2-yl)methoxy]isoquinoline-6-carboxamide (CID 142580620) is N-hydroxy-7-methoxy-1-[(5-oxopyrrolidin-2-yl)methoxy]isoquinoline-6-carboxamide.
What is the SMILES notation for N-hydroxy-7-methoxy-1-[(5-oxopyrrolidin-2-yl)methoxy]isoquinoline-6-carboxamide?
The canonical SMILES for N-hydroxy-7-methoxy-1-[(5-oxopyrrolidin-2-yl)methoxy]isoquinoline-6-carboxamide is COc1cc2c(OCC3CCC(=O)N3)nccc2cc1C(=O)NO.
What is the InChIKey of N-hydroxy-7-methoxy-1-[(5-oxopyrrolidin-2-yl)methoxy]isoquinoline-6-carboxamide?
The InChIKey is HRZKVVZZTHYCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c1-23-13-7-11-9(6-12(13)15(21)19-22)4-5-17-16(11)24-8-10-2-3-14(20)18-10/h4-7,10,22H,2-3,8H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-hydroxy-7-methoxy-1-[(5-oxopyrrolidin-2-yl)methoxy]isoquinoline-6-carboxamide?
N-hydroxy-7-methoxy-1-[(5-oxopyrrolidin-2-yl)methoxy]isoquinoline-6-carboxamide has a molecular weight of 331.33 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-methoxy-1-[(5-oxopyrrolidin-2-yl)methoxy]isoquinoline-6-carboxamide is sourced from PubChem (CID 142580620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).