1-(ethylamino)-N-(2-methylbutan-2-yl)isoquinoline-4-carboxamide

C17H23N3O — CID 106770044

IUPAC1-(ethylamino)-N-(2-methylbutan-2-yl)isoquinoline-4-carboxamide
SMILESCCNc1ncc(C(=O)NC(C)(C)CC)c2ccccc12
InChIInChI=1S/C17H23N3O/c1-5-17(3,4)20-16(21)14-11-19-15(18-6-2)13-10-8-7-9-12(13)14/h7-11H,5-6H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyUWHYZUMLVYLHRC-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.59
Rot. Bonds5

About 1-(ethylamino)-N-(2-methylbutan-2-yl)isoquinoline-4-carboxamide

1-(ethylamino)-N-(2-methylbutan-2-yl)isoquinoline-4-carboxamide (PubChem CID 106770044) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(ethylamino)-N-(2-methylbutan-2-yl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-(ethylamino)-N-(2-methylbutan-2-yl)isoquinoline-4-carboxamide
PubChem CID106770044
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(ethylamino)-N-(2-methylbutan-2-yl)isoquinoline-4-carboxamide
SMILESCCNc1ncc(C(=O)NC(C)(C)CC)c2ccccc12
InChIInChI=1S/C17H23N3O/c1-5-17(3,4)20-16(21)14-11-19-15(18-6-2)13-10-8-7-9-12(13)14/h7-11H,5-6H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyUWHYZUMLVYLHRC-UHFFFAOYSA-N
XLogP3.59
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylpropyl)-1-(ethylamino)isoquinoline-4-carboxamide
CID 106770928
1-(ethylamino)-N-propan-2-ylisoquinoline-4-carboxamide
CID 106770073
1-(ethylamino)-N-(2-methoxyethyl)isoquinoline-4-carboxamide
CID 106770082
1-(ethylamino)-N-(3-methoxypropyl)isoquinoline-4-carboxamide
CID 106770431
1-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)isoquinoline-4-carboxamide
CID 106769743
1-(ethylamino)-N-(2-methoxypropyl)isoquinoline-4-carboxamide
CID 106773177
1-(ethylamino)-N-(2-hydroxypropyl)-N-methylisoquinoline-4-carboxamide
CID 106771618
2-(ethylamino)-N-(2-methylbutan-2-yl)quinoline-4-carboxamide
CID 62173209
1-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)isoquinoline-4-carboxamide
CID 106098409
1-(methylamino)-N-(2,2,2-trifluoroethyl)isoquinoline-4-carboxamide
CID 106769970
2-bromo-N-(2-methylbutan-2-yl)benzamide
CID 24700588
1-hydrazinylisoquinoline-4-carbohydrazide
CID 165346130

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-N-(2-methylbutan-2-yl)isoquinoline-4-carboxamide?
The IUPAC name of 1-(ethylamino)-N-(2-methylbutan-2-yl)isoquinoline-4-carboxamide (CID 106770044) is 1-(ethylamino)-N-(2-methylbutan-2-yl)isoquinoline-4-carboxamide.
What is the SMILES notation for 1-(ethylamino)-N-(2-methylbutan-2-yl)isoquinoline-4-carboxamide?
The canonical SMILES for 1-(ethylamino)-N-(2-methylbutan-2-yl)isoquinoline-4-carboxamide is CCNc1ncc(C(=O)NC(C)(C)CC)c2ccccc12.
What is the InChIKey of 1-(ethylamino)-N-(2-methylbutan-2-yl)isoquinoline-4-carboxamide?
The InChIKey is UWHYZUMLVYLHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-17(3,4)20-16(21)14-11-19-15(18-6-2)13-10-8-7-9-12(13)14/h7-11H,5-6H2,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 1-(ethylamino)-N-(2-methylbutan-2-yl)isoquinoline-4-carboxamide?
1-(ethylamino)-N-(2-methylbutan-2-yl)isoquinoline-4-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-N-(2-methylbutan-2-yl)isoquinoline-4-carboxamide is sourced from PubChem (CID 106770044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).