1-methoxy-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-3-carboxamide

C18H23N3O3 — CID 51095427

IUPAC1-methoxy-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-3-carboxamide
SMILESCOc1nc(C(=O)NC(C)CN2CCOCC2)cc2ccccc12
InChIInChI=1S/C18H23N3O3/c1-13(12-21-7-9-24-10-8-21)19-17(22)16-11-14-5-3-4-6-15(14)18(20-16)23-2/h3-6,11,13H,7-10,12H2,1-2H3,(H,19,22)
InChIKeyFYQJEIYNSQJPRD-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.69
Rot. Bonds5

About 1-methoxy-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-3-carboxamide

1-methoxy-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-3-carboxamide (PubChem CID 51095427) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-methoxy-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-methoxy-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-3-carboxamide
PubChem CID51095427
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-methoxy-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-3-carboxamide
SMILESCOc1nc(C(=O)NC(C)CN2CCOCC2)cc2ccccc12
InChIInChI=1S/C18H23N3O3/c1-13(12-21-7-9-24-10-8-21)19-17(22)16-11-14-5-3-4-6-15(14)18(20-16)23-2/h3-6,11,13H,7-10,12H2,1-2H3,(H,19,22)
InChIKeyFYQJEIYNSQJPRD-UHFFFAOYSA-N
XLogP1.69
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-methoxyisoquinoline-3-carboxamide
CID 95274404
6-bromo-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2-carboxamide
CID 103879470
6-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2-carboxamide
CID 62239352
2-[(1-methoxyisoquinoline-3-carbonyl)amino]propanediamide
CID 56820586
2-morpholin-4-yl-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide
CID 46975816
N-[(2S)-1-morpholin-4-ylpropan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 94116708
4-methoxy-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 94025955
methyl 3-hydroxy-5-(1-morpholin-4-ylpropan-2-ylcarbamoyl)benzoate
CID 122565746
1-methoxy-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]isoquinoline-3-carboxamide
CID 99783936
2-ethoxy-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pyridine-3-carboxamide
CID 94866907
1-(2-methoxyethyl)-N-(1-morpholin-4-ylpropan-2-yl)-6-oxopyridine-3-carboxamide
CID 55883209
N-[(4-bromothiophen-2-yl)methyl]-1-methoxyisoquinoline-3-carboxamide
CID 71885176

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-3-carboxamide?
The IUPAC name of 1-methoxy-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-3-carboxamide (CID 51095427) is 1-methoxy-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-3-carboxamide.
What is the SMILES notation for 1-methoxy-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-3-carboxamide?
The canonical SMILES for 1-methoxy-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-3-carboxamide is COc1nc(C(=O)NC(C)CN2CCOCC2)cc2ccccc12.
What is the InChIKey of 1-methoxy-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-3-carboxamide?
The InChIKey is FYQJEIYNSQJPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13(12-21-7-9-24-10-8-21)19-17(22)16-11-14-5-3-4-6-15(14)18(20-16)23-2/h3-6,11,13H,7-10,12H2,1-2H3,(H,19,22).
What are the key properties of 1-methoxy-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-3-carboxamide?
1-methoxy-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-3-carboxamide is sourced from PubChem (CID 51095427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).