1-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylisoquinoline-3-carboxamide

C15H19N3O3 — CID 62185684

IUPAC1-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylisoquinoline-3-carboxamide
SMILESCOCC(O)CN(C)C(=O)c1cc2ccccc2c(N)n1
InChIInChI=1S/C15H19N3O3/c1-18(8-11(19)9-21-2)15(20)13-7-10-5-3-4-6-12(10)14(16)17-13/h3-7,11,19H,8-9H2,1-2H3,(H2,16,17)
InChIKeyXJCDTJGFAGMLII-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.90
Rot. Bonds5

About 1-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylisoquinoline-3-carboxamide

1-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylisoquinoline-3-carboxamide (PubChem CID 62185684) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylisoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylisoquinoline-3-carboxamide
PubChem CID62185684
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name1-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylisoquinoline-3-carboxamide
SMILESCOCC(O)CN(C)C(=O)c1cc2ccccc2c(N)n1
InChIInChI=1S/C15H19N3O3/c1-18(8-11(19)9-21-2)15(20)13-7-10-5-3-4-6-12(10)14(16)17-13/h3-7,11,19H,8-9H2,1-2H3,(H2,16,17)
InChIKeyXJCDTJGFAGMLII-UHFFFAOYSA-N
XLogP0.90
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-methyl-N-(2-methylpropyl)isoquinoline-3-carboxamide
CID 62156475
N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzofuran-2-carboxamide
CID 54993279
1-amino-N-propan-2-yl-N-propylisoquinoline-3-carboxamide
CID 62156479
N-(2-hydroxy-3-methoxypropyl)-N-methyl-6-(methylamino)pyridine-2-carboxamide
CID 62233791
1-amino-N-[2-(2-methoxyethoxy)ethyl]isoquinoline-3-carboxamide
CID 62160545
N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzothiophene-3-carboxamide
CID 55012559
3,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 103892640
1-amino-N-methyl-N-pyridin-2-ylisoquinoline-3-carboxamide
CID 62151478
1-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)isoquinoline-3-carboxamide
CID 79380171
1-amino-N-butyl-N-(2-hydroxyethyl)isoquinoline-3-carboxamide
CID 62160551
N-(2-hydroxy-3-methoxypropyl)-N,2,6-trimethylbenzamide
CID 103769303
3-amino-4-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 54994745

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylisoquinoline-3-carboxamide?
The IUPAC name of 1-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylisoquinoline-3-carboxamide (CID 62185684) is 1-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylisoquinoline-3-carboxamide.
What is the SMILES notation for 1-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylisoquinoline-3-carboxamide?
The canonical SMILES for 1-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylisoquinoline-3-carboxamide is COCC(O)CN(C)C(=O)c1cc2ccccc2c(N)n1.
What is the InChIKey of 1-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylisoquinoline-3-carboxamide?
The InChIKey is XJCDTJGFAGMLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-18(8-11(19)9-21-2)15(20)13-7-10-5-3-4-6-12(10)14(16)17-13/h3-7,11,19H,8-9H2,1-2H3,(H2,16,17).
What are the key properties of 1-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylisoquinoline-3-carboxamide?
1-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylisoquinoline-3-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylisoquinoline-3-carboxamide is sourced from PubChem (CID 62185684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).