2-[4-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]-N-propylacetamide

C24H30N4O4 — CID 55372568

IUPAC2-[4-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)C2Cc3ccccc3CN2C(=O)c2ccco2)CC1
InChIInChI=1S/C24H30N4O4/c1-2-9-25-22(29)17-26-10-12-27(13-11-26)23(30)20-15-18-6-3-4-7-19(18)16-28(20)24(31)21-8-5-14-32-21/h3-8,14,20H,2,9-13,15-17H2,1H3,(H,25,29)
InChIKeyWURODXVXCDMXPA-UHFFFAOYSA-N
MW438.53 g/mol
LogP1.52
Rot. Bonds6

About 2-[4-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]-N-propylacetamide

2-[4-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]-N-propylacetamide (PubChem CID 55372568) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 2-[4-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]-N-propylacetamide
PubChem CID55372568
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name2-[4-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)C2Cc3ccccc3CN2C(=O)c2ccco2)CC1
InChIInChI=1S/C24H30N4O4/c1-2-9-25-22(29)17-26-10-12-27(13-11-26)23(30)20-15-18-6-3-4-7-19(18)16-28(20)24(31)21-8-5-14-32-21/h3-8,14,20H,2,9-13,15-17H2,1H3,(H,25,29)
InChIKeyWURODXVXCDMXPA-UHFFFAOYSA-N
XLogP1.52
TPSA86.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]-N-propylacetamide with MolForge

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Related Compounds

2-[4-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]-N-methylacetamide
CID 78801304
N-(4-fluorophenyl)-2-[4-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]acetamide
CID 43021164
(4-benzylpiperazin-1-yl)-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone
CID 43008282
azepan-1-yl-[(3R)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone
CID 51708187
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone
CID 4875781
[(3R)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 2476767
[(3S)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 2476769
2-(furan-2-carbonyl)-N-(3-hydroxybutyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 111433428
2-(furan-2-carbonyl)-N-(4-morpholin-4-ylbutyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55742369
2-(furan-2-carbonyl)-N-(2-piperazin-1-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 119447879
N-(3-aminopropyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 119407689
N-[2-(dimethylamino)ethyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 108994620

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]-N-propylacetamide (CID 55372568) is 2-[4-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(C(=O)C2Cc3ccccc3CN2C(=O)c2ccco2)CC1.
What is the InChIKey of 2-[4-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]-N-propylacetamide?
The InChIKey is WURODXVXCDMXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-2-9-25-22(29)17-26-10-12-27(13-11-26)23(30)20-15-18-6-3-4-7-19(18)16-28(20)24(31)21-8-5-14-32-21/h3-8,14,20H,2,9-13,15-17H2,1H3,(H,25,29).
What are the key properties of 2-[4-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]-N-propylacetamide?
2-[4-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]-N-propylacetamide has a molecular weight of 438.53 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 55372568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).