2-[5-(ethylamino)-1-methylisoquinolin-3-yl]propanamide

C15H19N3O — CID 20740704

IUPAC2-[5-(ethylamino)-1-methylisoquinolin-3-yl]propanamide
SMILESCCNc1cccc2c(C)nc(C(C)C(N)=O)cc12
InChIInChI=1S/C15H19N3O/c1-4-17-13-7-5-6-11-10(3)18-14(8-12(11)13)9(2)15(16)19/h5-9,17H,4H2,1-3H3,(H2,16,19)
InChIKeyAAQBEVXPDZRFPL-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.56
Rot. Bonds4

About 2-[5-(ethylamino)-1-methylisoquinolin-3-yl]propanamide

2-[5-(ethylamino)-1-methylisoquinolin-3-yl]propanamide (PubChem CID 20740704) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[5-(ethylamino)-1-methylisoquinolin-3-yl]propanamide.

Molecular Properties

Compound Name2-[5-(ethylamino)-1-methylisoquinolin-3-yl]propanamide
PubChem CID20740704
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[5-(ethylamino)-1-methylisoquinolin-3-yl]propanamide
SMILESCCNc1cccc2c(C)nc(C(C)C(N)=O)cc12
InChIInChI=1S/C15H19N3O/c1-4-17-13-7-5-6-11-10(3)18-14(8-12(11)13)9(2)15(16)19/h5-9,17H,4H2,1-3H3,(H2,16,19)
InChIKeyAAQBEVXPDZRFPL-UHFFFAOYSA-N
XLogP2.56
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(ethylamino)-1-methylisoquinolin-3-yl]propanamide?
The IUPAC name of 2-[5-(ethylamino)-1-methylisoquinolin-3-yl]propanamide (CID 20740704) is 2-[5-(ethylamino)-1-methylisoquinolin-3-yl]propanamide.
What is the SMILES notation for 2-[5-(ethylamino)-1-methylisoquinolin-3-yl]propanamide?
The canonical SMILES for 2-[5-(ethylamino)-1-methylisoquinolin-3-yl]propanamide is CCNc1cccc2c(C)nc(C(C)C(N)=O)cc12.
What is the InChIKey of 2-[5-(ethylamino)-1-methylisoquinolin-3-yl]propanamide?
The InChIKey is AAQBEVXPDZRFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-17-13-7-5-6-11-10(3)18-14(8-12(11)13)9(2)15(16)19/h5-9,17H,4H2,1-3H3,(H2,16,19).
What are the key properties of 2-[5-(ethylamino)-1-methylisoquinolin-3-yl]propanamide?
2-[5-(ethylamino)-1-methylisoquinolin-3-yl]propanamide has a molecular weight of 257.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(ethylamino)-1-methylisoquinolin-3-yl]propanamide is sourced from PubChem (CID 20740704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).