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

C17H24N2O2 — CID 90524726

IUPACN-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1ccc2c(c1)C(=O)NCC2
InChIInChI=1S/C17H24N2O2/c1-3-5-13(6-4-2)16(20)19-14-8-7-12-9-10-18-17(21)15(12)11-14/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyIJBFWVOIMMDEPD-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.13
Rot. Bonds6

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

N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-2-propylpentanamide (PubChem CID 90524726) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-2-propylpentanamide
PubChem CID90524726
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1ccc2c(c1)C(=O)NCC2
InChIInChI=1S/C17H24N2O2/c1-3-5-13(6-4-2)16(20)19-14-8-7-12-9-10-18-17(21)15(12)11-14/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyIJBFWVOIMMDEPD-UHFFFAOYSA-N
XLogP3.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)butanamide
CID 90524707
7-(2-propylpentanoyl)-3,4-dihydro-2H-isoquinolin-1-one
CID 82984569
N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-2,2-diphenylacetamide
CID 56764999
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
N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-2-propylpentanamide
CID 2839733
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
N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)adamantane-1-carboxamide
CID 90524773

Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-2-propylpentanamide?
The IUPAC name of N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-2-propylpentanamide (CID 90524726) is N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-2-propylpentanamide.
What is the SMILES notation for N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-2-propylpentanamide?
The canonical SMILES for N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-2-propylpentanamide is CCCC(CCC)C(=O)Nc1ccc2c(c1)C(=O)NCC2.
What is the InChIKey of N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-2-propylpentanamide?
The InChIKey is IJBFWVOIMMDEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-5-13(6-4-2)16(20)19-14-8-7-12-9-10-18-17(21)15(12)11-14/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-2-propylpentanamide?
N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-2-propylpentanamide has a molecular weight of 288.39 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-2-propylpentanamide is sourced from PubChem (CID 90524726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).