1-(ethylamino)-N-(2-methoxyethyl)isoquinoline-4-carboxamide

C15H19N3O2 — CID 106770082

IUPAC1-(ethylamino)-N-(2-methoxyethyl)isoquinoline-4-carboxamide
SMILESCCNc1ncc(C(=O)NCCOC)c2ccccc12
InChIInChI=1S/C15H19N3O2/c1-3-16-14-12-7-5-4-6-11(12)13(10-18-14)15(19)17-8-9-20-2/h4-7,10H,3,8-9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyDGNNKNDOAWHUGE-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.04
Rot. Bonds6

About 1-(ethylamino)-N-(2-methoxyethyl)isoquinoline-4-carboxamide

1-(ethylamino)-N-(2-methoxyethyl)isoquinoline-4-carboxamide (PubChem CID 106770082) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(ethylamino)-N-(2-methoxyethyl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-(ethylamino)-N-(2-methoxyethyl)isoquinoline-4-carboxamide
PubChem CID106770082
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-(ethylamino)-N-(2-methoxyethyl)isoquinoline-4-carboxamide
SMILESCCNc1ncc(C(=O)NCCOC)c2ccccc12
InChIInChI=1S/C15H19N3O2/c1-3-16-14-12-7-5-4-6-11(12)13(10-18-14)15(19)17-8-9-20-2/h4-7,10H,3,8-9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyDGNNKNDOAWHUGE-UHFFFAOYSA-N
XLogP2.04
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(ethylamino)-N-(3-methoxypropyl)isoquinoline-4-carboxamide
CID 106770431
N-(2,2-dimethylpropyl)-1-(ethylamino)isoquinoline-4-carboxamide
CID 106770928
1-(ethylamino)-N-(2-methoxypropyl)isoquinoline-4-carboxamide
CID 106773177
1-(ethylamino)-N-propan-2-ylisoquinoline-4-carboxamide
CID 106770073
1-amino-N-(2-methoxyethyl)isoquinoline-4-carboxamide
CID 106770080
methyl 1-(2-methoxyethylamino)isoquinoline-4-carboxylate
CID 22581201
1-(ethylamino)-N-(2-methylbutan-2-yl)isoquinoline-4-carboxamide
CID 106770044
1-hydrazinyl-N-(2-propan-2-yloxyethyl)isoquinoline-4-carboxamide
CID 106774378
N-butyl-1-(methylamino)isoquinoline-4-carboxamide
CID 106769901
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
1-amino-N-(2-ethoxyethyl)isoquinoline-4-carboxamide
CID 106769712
1-(ethylamino)-N-(2-hydroxypropyl)-N-methylisoquinoline-4-carboxamide
CID 106771618

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-N-(2-methoxyethyl)isoquinoline-4-carboxamide?
The IUPAC name of 1-(ethylamino)-N-(2-methoxyethyl)isoquinoline-4-carboxamide (CID 106770082) is 1-(ethylamino)-N-(2-methoxyethyl)isoquinoline-4-carboxamide.
What is the SMILES notation for 1-(ethylamino)-N-(2-methoxyethyl)isoquinoline-4-carboxamide?
The canonical SMILES for 1-(ethylamino)-N-(2-methoxyethyl)isoquinoline-4-carboxamide is CCNc1ncc(C(=O)NCCOC)c2ccccc12.
What is the InChIKey of 1-(ethylamino)-N-(2-methoxyethyl)isoquinoline-4-carboxamide?
The InChIKey is DGNNKNDOAWHUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-16-14-12-7-5-4-6-11(12)13(10-18-14)15(19)17-8-9-20-2/h4-7,10H,3,8-9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 1-(ethylamino)-N-(2-methoxyethyl)isoquinoline-4-carboxamide?
1-(ethylamino)-N-(2-methoxyethyl)isoquinoline-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-N-(2-methoxyethyl)isoquinoline-4-carboxamide is sourced from PubChem (CID 106770082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).