N,N-diethyl-3-[(7-hydroxyisoquinolin-1-yl)amino]propanamide

C16H21N3O2 — CID 106537734

IUPACN,N-diethyl-3-[(7-hydroxyisoquinolin-1-yl)amino]propanamide
SMILESCCN(CC)C(=O)CCNc1nccc2ccc(O)cc12
InChIInChI=1S/C16H21N3O2/c1-3-19(4-2)15(21)8-10-18-16-14-11-13(20)6-5-12(14)7-9-17-16/h5-7,9,11,20H,3-4,8,10H2,1-2H3,(H,17,18)
InChIKeyGESBPLSIMZXJQM-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.61
Rot. Bonds6

About N,N-diethyl-3-[(7-hydroxyisoquinolin-1-yl)amino]propanamide

N,N-diethyl-3-[(7-hydroxyisoquinolin-1-yl)amino]propanamide (PubChem CID 106537734) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N,N-diethyl-3-[(7-hydroxyisoquinolin-1-yl)amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(7-hydroxyisoquinolin-1-yl)amino]propanamide
PubChem CID106537734
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN,N-diethyl-3-[(7-hydroxyisoquinolin-1-yl)amino]propanamide
SMILESCCN(CC)C(=O)CCNc1nccc2ccc(O)cc12
InChIInChI=1S/C16H21N3O2/c1-3-19(4-2)15(21)8-10-18-16-14-11-13(20)6-5-12(14)7-9-17-16/h5-7,9,11,20H,3-4,8,10H2,1-2H3,(H,17,18)
InChIKeyGESBPLSIMZXJQM-UHFFFAOYSA-N
XLogP2.61
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(7-hydroxyisoquinolin-1-yl)amino]propanamide?
The IUPAC name of N,N-diethyl-3-[(7-hydroxyisoquinolin-1-yl)amino]propanamide (CID 106537734) is N,N-diethyl-3-[(7-hydroxyisoquinolin-1-yl)amino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[(7-hydroxyisoquinolin-1-yl)amino]propanamide?
The canonical SMILES for N,N-diethyl-3-[(7-hydroxyisoquinolin-1-yl)amino]propanamide is CCN(CC)C(=O)CCNc1nccc2ccc(O)cc12.
What is the InChIKey of N,N-diethyl-3-[(7-hydroxyisoquinolin-1-yl)amino]propanamide?
The InChIKey is GESBPLSIMZXJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-19(4-2)15(21)8-10-18-16-14-11-13(20)6-5-12(14)7-9-17-16/h5-7,9,11,20H,3-4,8,10H2,1-2H3,(H,17,18).
What are the key properties of N,N-diethyl-3-[(7-hydroxyisoquinolin-1-yl)amino]propanamide?
N,N-diethyl-3-[(7-hydroxyisoquinolin-1-yl)amino]propanamide has a molecular weight of 287.36 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(7-hydroxyisoquinolin-1-yl)amino]propanamide is sourced from PubChem (CID 106537734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).