2-ethyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)butanamide

C15H20N2O2 — CID 90524707

IUPAC2-ethyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)butanamide
SMILESCCC(CC)C(=O)Nc1ccc2c(c1)C(=O)NCC2
InChIInChI=1S/C15H20N2O2/c1-3-10(4-2)14(18)17-12-6-5-11-7-8-16-15(19)13(11)9-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyFCVKHZIETSODPJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.35
Rot. Bonds4

About 2-ethyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)butanamide

2-ethyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)butanamide (PubChem CID 90524707) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-ethyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)butanamide
PubChem CID90524707
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-ethyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)butanamide
SMILESCCC(CC)C(=O)Nc1ccc2c(c1)C(=O)NCC2
InChIInChI=1S/C15H20N2O2/c1-3-10(4-2)14(18)17-12-6-5-11-7-8-16-15(19)13(11)9-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyFCVKHZIETSODPJ-UHFFFAOYSA-N
XLogP2.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-2-propylpentanamide
CID 90524726
N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-2,2-diphenylacetamide
CID 56764999
2-ethyl-N-[7-(2-ethylbutanoylamino)-9H-fluoren-2-yl]butanamide
CID 9320374
1-(4-butoxyphenyl)-3-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)urea
CID 90524964
4-tert-butyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide
CID 90524768
2-(4-ethoxyphenyl)-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide
CID 90524772
N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)cyclopentanecarboxamide
CID 56764976
methyl 4-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)carbamoyl]benzoate
CID 56764988
2-methylsulfanyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide
CID 56764986
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)propanamide
CID 171909752
2-ethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)butanamide
CID 110732693
N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)adamantane-1-carboxamide
CID 90524773

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)butanamide?
The IUPAC name of 2-ethyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)butanamide (CID 90524707) is 2-ethyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)butanamide.
What is the SMILES notation for 2-ethyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)butanamide?
The canonical SMILES for 2-ethyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)butanamide is CCC(CC)C(=O)Nc1ccc2c(c1)C(=O)NCC2.
What is the InChIKey of 2-ethyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)butanamide?
The InChIKey is FCVKHZIETSODPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-10(4-2)14(18)17-12-6-5-11-7-8-16-15(19)13(11)9-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-ethyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)butanamide?
2-ethyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)butanamide has a molecular weight of 260.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)butanamide is sourced from PubChem (CID 90524707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).