N-ethyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide

C15H19N3O2 — CID 106539420

IUPACN-ethyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide
SMILESCCNC(=O)CCNc1nccc2c(OC)cccc12
InChIInChI=1S/C15H19N3O2/c1-3-16-14(19)8-10-18-15-12-5-4-6-13(20-2)11(12)7-9-17-15/h4-7,9H,3,8,10H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyWNHHSOSBVJIYDI-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.18
Rot. Bonds6

About N-ethyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide

N-ethyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide (PubChem CID 106539420) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-ethyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide
PubChem CID106539420
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-ethyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide
SMILESCCNC(=O)CCNc1nccc2c(OC)cccc12
InChIInChI=1S/C15H19N3O2/c1-3-16-14(19)8-10-18-15-12-5-4-6-13(20-2)11(12)7-9-17-15/h4-7,9H,3,8,10H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyWNHHSOSBVJIYDI-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide
CID 106539065
2-[(5-methoxyisoquinolin-1-yl)amino]ethylurea
CID 106539332
5-[(5-methoxyisoquinolin-1-yl)amino]pentanamide
CID 106238801
5-methoxy-N-pentylisoquinolin-1-amine
CID 106537272
N-(2-ethoxyethyl)-5-methoxyisoquinolin-1-amine
CID 106537643
N-(3-chloropropyl)-5-methoxyisoquinolin-1-amine
CID 106542642
N-but-3-enyl-5-methoxyisoquinolin-1-amine
CID 106539509
5-methoxy-N-(3-methylsulfinylpropyl)isoquinolin-1-amine
CID 106539682
N-[3-[(5-methoxyisoquinolin-1-yl)amino]propyl]methanesulfonamide
CID 106337312
2-[(5-methoxyisoquinolin-1-yl)amino]-2-methylbutanoic acid
CID 106536335
2-[(5-methoxyisoquinoline-1-carbonyl)amino]acetic acid
CID 82571596
N-hex-5-ynyl-5-methoxyisoquinolin-1-amine
CID 106214608

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide?
The IUPAC name of N-ethyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide (CID 106539420) is N-ethyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide.
What is the SMILES notation for N-ethyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide?
The canonical SMILES for N-ethyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide is CCNC(=O)CCNc1nccc2c(OC)cccc12.
What is the InChIKey of N-ethyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide?
The InChIKey is WNHHSOSBVJIYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-16-14(19)8-10-18-15-12-5-4-6-13(20-2)11(12)7-9-17-15/h4-7,9H,3,8,10H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-ethyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide?
N-ethyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide has a molecular weight of 273.34 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide is sourced from PubChem (CID 106539420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).