7-methoxy-1-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)isoquinoline-6-carboxamide

C17H18N4O3 — CID 138680054

IUPAC7-methoxy-1-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)isoquinoline-6-carboxamide
SMILESCOc1cc2c(N3CC4(CCC(=O)N4)C3)nccc2cc1C(N)=O
InChIInChI=1S/C17H18N4O3/c1-24-13-7-11-10(6-12(13)15(18)23)3-5-19-16(11)21-8-17(9-21)4-2-14(22)20-17/h3,5-7H,2,4,8-9H2,1H3,(H2,18,23)(H,20,22)
InChIKeyBKWLVEPFPRLCLN-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.81
Rot. Bonds3

About 7-methoxy-1-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)isoquinoline-6-carboxamide

7-methoxy-1-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)isoquinoline-6-carboxamide (PubChem CID 138680054) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 7-methoxy-1-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)isoquinoline-6-carboxamide.

Molecular Properties

Compound Name7-methoxy-1-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)isoquinoline-6-carboxamide
PubChem CID138680054
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name7-methoxy-1-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)isoquinoline-6-carboxamide
SMILESCOc1cc2c(N3CC4(CCC(=O)N4)C3)nccc2cc1C(N)=O
InChIInChI=1S/C17H18N4O3/c1-24-13-7-11-10(6-12(13)15(18)23)3-5-19-16(11)21-8-17(9-21)4-2-14(22)20-17/h3,5-7H,2,4,8-9H2,1H3,(H2,18,23)(H,20,22)
InChIKeyBKWLVEPFPRLCLN-UHFFFAOYSA-N
XLogP0.81
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-methoxy-1-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)isoquinoline-6-carboxamide with MolForge

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Related Compounds

1-(6a-cyclopropyl-2-oxo-3,3a,4,6-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl)-7-methoxyisoquinoline-6-carboxamide
CID 138679876
1-[(3aR,6S,6aR)-6-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-7-methoxyisoquinoline-6-carboxamide
CID 138680023
7-methoxy-1-[[(5S)-3-oxo-2-azabicyclo[3.1.0]hexan-1-yl]methoxy]isoquinoline-6-carboxamide
CID 138502245
1-[(3aR,6aS)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-7-(trideuteriomethoxy)isoquinoline-6-carboxamide
CID 138680059
1-[[(2R)-2-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 118414316
1-(6,7-dimethoxyisoquinolin-1-yl)-3-ethylazetidin-3-ol
CID 106541497
1-[[(4R,7S)-7-fluoro-6-oxo-5-azaspiro[2.4]heptan-4-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 126622186
1,7-dimethoxyisoquinoline-6-carboxamide;ethane;1-propan-2-ylpyrrolidin-2-one
CID 142615854
1-[[(1S,2S,5R)-1-ethyl-4-oxo-3-azabicyclo[3.2.0]heptan-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 134490809
1-(7-fluoro-6-methoxyisoquinolin-1-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052635
1-[2-[(1R,2R,5S)-5-fluoro-4-oxo-3-azabicyclo[3.2.0]heptan-2-yl]ethoxy]-7-methoxyisoquinoline-6-carboxamide
CID 134214227
1-[[(4S)-4-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 166972613

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)isoquinoline-6-carboxamide?
The IUPAC name of 7-methoxy-1-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)isoquinoline-6-carboxamide (CID 138680054) is 7-methoxy-1-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)isoquinoline-6-carboxamide.
What is the SMILES notation for 7-methoxy-1-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)isoquinoline-6-carboxamide?
The canonical SMILES for 7-methoxy-1-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)isoquinoline-6-carboxamide is COc1cc2c(N3CC4(CCC(=O)N4)C3)nccc2cc1C(N)=O.
What is the InChIKey of 7-methoxy-1-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)isoquinoline-6-carboxamide?
The InChIKey is BKWLVEPFPRLCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-24-13-7-11-10(6-12(13)15(18)23)3-5-19-16(11)21-8-17(9-21)4-2-14(22)20-17/h3,5-7H,2,4,8-9H2,1H3,(H2,18,23)(H,20,22).
What are the key properties of 7-methoxy-1-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)isoquinoline-6-carboxamide?
7-methoxy-1-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)isoquinoline-6-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)isoquinoline-6-carboxamide is sourced from PubChem (CID 138680054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).