3-(ethylamino)-N-isoquinolin-5-ylpropanamide

C14H17N3O — CID 62831440

IUPAC3-(ethylamino)-N-isoquinolin-5-ylpropanamide
SMILESCCNCCC(=O)Nc1cccc2cnccc12
InChIInChI=1S/C14H17N3O/c1-2-15-9-7-14(18)17-13-5-3-4-11-10-16-8-6-12(11)13/h3-6,8,10,15H,2,7,9H2,1H3,(H,17,18)
InChIKeyLWGMCOUFMMVRMT-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.17
Rot. Bonds5

About 3-(ethylamino)-N-isoquinolin-5-ylpropanamide

3-(ethylamino)-N-isoquinolin-5-ylpropanamide (PubChem CID 62831440) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(ethylamino)-N-isoquinolin-5-ylpropanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-isoquinolin-5-ylpropanamide
PubChem CID62831440
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-(ethylamino)-N-isoquinolin-5-ylpropanamide
SMILESCCNCCC(=O)Nc1cccc2cnccc12
InChIInChI=1S/C14H17N3O/c1-2-15-9-7-14(18)17-13-5-3-4-11-10-16-8-6-12(11)13/h3-6,8,10,15H,2,7,9H2,1H3,(H,17,18)
InChIKeyLWGMCOUFMMVRMT-UHFFFAOYSA-N
XLogP2.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-isoquinolin-5-yl-3-sulfanylpropanamide
CID 107023450
2-ethoxy-N-isoquinolin-5-ylacetamide
CID 60719162
N-isoquinolin-5-yl-3,3-dimethylbutanamide
CID 29371824
N-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide
CID 54924139
3-(isoquinolin-5-ylcarbamoylamino)propanoic acid
CID 61205972
3-(4-chlorophenyl)-N-isoquinolin-5-ylpropanamide
CID 29372808
2-(4-chlorophenyl)-N-isoquinolin-5-ylacetamide
CID 8763151
2-amino-N-[2-(isoquinolin-5-ylamino)-2-oxoethyl]acetamide
CID 54928661
2-anilino-N-isoquinolin-5-ylacetamide
CID 60860768
N-[2-(isoquinolin-5-ylamino)-2-oxoethyl]-4-methylbenzamide
CID 29372226
(2R)-2-amino-N-isoquinolin-5-ylpentanamide
CID 107568420
2-(2,5-dimethylphenoxy)-N-isoquinolin-5-ylacetamide
CID 8763215

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-isoquinolin-5-ylpropanamide?
The IUPAC name of 3-(ethylamino)-N-isoquinolin-5-ylpropanamide (CID 62831440) is 3-(ethylamino)-N-isoquinolin-5-ylpropanamide.
What is the SMILES notation for 3-(ethylamino)-N-isoquinolin-5-ylpropanamide?
The canonical SMILES for 3-(ethylamino)-N-isoquinolin-5-ylpropanamide is CCNCCC(=O)Nc1cccc2cnccc12.
What is the InChIKey of 3-(ethylamino)-N-isoquinolin-5-ylpropanamide?
The InChIKey is LWGMCOUFMMVRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-15-9-7-14(18)17-13-5-3-4-11-10-16-8-6-12(11)13/h3-6,8,10,15H,2,7,9H2,1H3,(H,17,18).
What are the key properties of 3-(ethylamino)-N-isoquinolin-5-ylpropanamide?
3-(ethylamino)-N-isoquinolin-5-ylpropanamide has a molecular weight of 243.31 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-isoquinolin-5-ylpropanamide is sourced from PubChem (CID 62831440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).