7-methoxy-1-[[(5S)-3-oxo-2-azabicyclo[3.1.0]hexan-1-yl]methoxy]isoquinoline-6-carboxamide

C17H17N3O4 — CID 138502245

IUPAC7-methoxy-1-[[(5S)-3-oxo-2-azabicyclo[3.1.0]hexan-1-yl]methoxy]isoquinoline-6-carboxamide
SMILESCOc1cc2c(OCC34C[C@H]3CC(=O)N4)nccc2cc1C(N)=O
InChIInChI=1S/C17H17N3O4/c1-23-13-6-11-9(4-12(13)15(18)22)2-3-19-16(11)24-8-17-7-10(17)5-14(21)20-17/h2-4,6,10H,5,7-8H2,1H3,(H2,18,22)(H,20,21)/t10-,17?/m1/s1
InChIKeyNVZQDGCTPMTAPF-YQDUUYOCSA-N
MW327.34 g/mol
LogP1.00
Rot. Bonds5

About 7-methoxy-1-[[(5S)-3-oxo-2-azabicyclo[3.1.0]hexan-1-yl]methoxy]isoquinoline-6-carboxamide

7-methoxy-1-[[(5S)-3-oxo-2-azabicyclo[3.1.0]hexan-1-yl]methoxy]isoquinoline-6-carboxamide (PubChem CID 138502245) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 7-methoxy-1-[[(5S)-3-oxo-2-azabicyclo[3.1.0]hexan-1-yl]methoxy]isoquinoline-6-carboxamide.

Molecular Properties

Compound Name7-methoxy-1-[[(5S)-3-oxo-2-azabicyclo[3.1.0]hexan-1-yl]methoxy]isoquinoline-6-carboxamide
PubChem CID138502245
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name7-methoxy-1-[[(5S)-3-oxo-2-azabicyclo[3.1.0]hexan-1-yl]methoxy]isoquinoline-6-carboxamide
SMILESCOc1cc2c(OCC34C[C@H]3CC(=O)N4)nccc2cc1C(N)=O
InChIInChI=1S/C17H17N3O4/c1-23-13-6-11-9(4-12(13)15(18)22)2-3-19-16(11)24-8-17-7-10(17)5-14(21)20-17/h2-4,6,10H,5,7-8H2,1H3,(H2,18,22)(H,20,21)/t10-,17?/m1/s1
InChIKeyNVZQDGCTPMTAPF-YQDUUYOCSA-N
XLogP1.00
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-methoxy-1-[[(5S)-3-oxo-2-azabicyclo[3.1.0]hexan-1-yl]methoxy]isoquinoline-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

7-methoxy-1-[[(1R)-3-oxo-2-azabicyclo[3.1.0]hexan-1-yl]methoxy]isoquinoline-6-carbonitrile
CID 137394898
1-[[(4S)-4-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 166972613
1-[[(1S,2S,5R,6S)-6-fluoro-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 118424430
1-[[(4R,7S)-7-fluoro-6-oxo-5-azaspiro[2.4]heptan-4-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 126622186
1-[[(2S,3R,4R)-3,4-dimethyl-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 118414733
1-[[(1S,2S,5R)-1-ethyl-4-oxo-3-azabicyclo[3.2.0]heptan-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 134490809
7-methoxy-1-[[(1S,2S,5R)-6-methyl-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]isoquinoline-6-carboxamide
CID 118414309
1-[[(1S,2S,5R)-3-azabicyclo[3.2.0]heptan-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 166972491
1-[[(2R)-2-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 118414316
1-[[(1S)-4-oxo-3-azabicyclo[3.1.0]hexan-1-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 139298140
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-[[(2S,3S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 155582589

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-[[(5S)-3-oxo-2-azabicyclo[3.1.0]hexan-1-yl]methoxy]isoquinoline-6-carboxamide?
The IUPAC name of 7-methoxy-1-[[(5S)-3-oxo-2-azabicyclo[3.1.0]hexan-1-yl]methoxy]isoquinoline-6-carboxamide (CID 138502245) is 7-methoxy-1-[[(5S)-3-oxo-2-azabicyclo[3.1.0]hexan-1-yl]methoxy]isoquinoline-6-carboxamide.
What is the SMILES notation for 7-methoxy-1-[[(5S)-3-oxo-2-azabicyclo[3.1.0]hexan-1-yl]methoxy]isoquinoline-6-carboxamide?
The canonical SMILES for 7-methoxy-1-[[(5S)-3-oxo-2-azabicyclo[3.1.0]hexan-1-yl]methoxy]isoquinoline-6-carboxamide is COc1cc2c(OCC34C[C@H]3CC(=O)N4)nccc2cc1C(N)=O.
What is the InChIKey of 7-methoxy-1-[[(5S)-3-oxo-2-azabicyclo[3.1.0]hexan-1-yl]methoxy]isoquinoline-6-carboxamide?
The InChIKey is NVZQDGCTPMTAPF-YQDUUYOCSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-23-13-6-11-9(4-12(13)15(18)22)2-3-19-16(11)24-8-17-7-10(17)5-14(21)20-17/h2-4,6,10H,5,7-8H2,1H3,(H2,18,22)(H,20,21)/t10-,17?/m1/s1.
What are the key properties of 7-methoxy-1-[[(5S)-3-oxo-2-azabicyclo[3.1.0]hexan-1-yl]methoxy]isoquinoline-6-carboxamide?
7-methoxy-1-[[(5S)-3-oxo-2-azabicyclo[3.1.0]hexan-1-yl]methoxy]isoquinoline-6-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-[[(5S)-3-oxo-2-azabicyclo[3.1.0]hexan-1-yl]methoxy]isoquinoline-6-carboxamide is sourced from PubChem (CID 138502245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).