N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2-(1-oxoisoquinolin-2-yl)acetamide

C23H24N4O5 — CID 3237993

IUPACN-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2-(1-oxoisoquinolin-2-yl)acetamide
SMILESO=C(Cn1ccc2ccccc2c1=O)NCCC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C23H24N4O5/c28-20(16-27-10-8-17-4-1-2-5-18(17)22(27)30)24-9-7-21(29)25-11-13-26(14-12-25)23(31)19-6-3-15-32-19/h1-6,8,10,15H,7,9,11-14,16H2,(H,24,28)
InChIKeyYIQZFLJXMTVZRU-UHFFFAOYSA-N
MW436.47 g/mol
LogP1.09
Rot. Bonds6

About N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2-(1-oxoisoquinolin-2-yl)acetamide

N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2-(1-oxoisoquinolin-2-yl)acetamide (PubChem CID 3237993) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2-(1-oxoisoquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2-(1-oxoisoquinolin-2-yl)acetamide
PubChem CID3237993
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC NameN-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2-(1-oxoisoquinolin-2-yl)acetamide
SMILESO=C(Cn1ccc2ccccc2c1=O)NCCC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C23H24N4O5/c28-20(16-27-10-8-17-4-1-2-5-18(17)22(27)30)24-9-7-21(29)25-11-13-26(14-12-25)23(31)19-6-3-15-32-19/h1-6,8,10,15H,7,9,11-14,16H2,(H,24,28)
InChIKeyYIQZFLJXMTVZRU-UHFFFAOYSA-N
XLogP1.09
TPSA104.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2-(1-oxoisoquinolin-2-yl)acetamide?
The IUPAC name of N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2-(1-oxoisoquinolin-2-yl)acetamide (CID 3237993) is N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2-(1-oxoisoquinolin-2-yl)acetamide.
What is the SMILES notation for N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2-(1-oxoisoquinolin-2-yl)acetamide?
The canonical SMILES for N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2-(1-oxoisoquinolin-2-yl)acetamide is O=C(Cn1ccc2ccccc2c1=O)NCCC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2-(1-oxoisoquinolin-2-yl)acetamide?
The InChIKey is YIQZFLJXMTVZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5/c28-20(16-27-10-8-17-4-1-2-5-18(17)22(27)30)24-9-7-21(29)25-11-13-26(14-12-25)23(31)19-6-3-15-32-19/h1-6,8,10,15H,7,9,11-14,16H2,(H,24,28).
What are the key properties of N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2-(1-oxoisoquinolin-2-yl)acetamide?
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2-(1-oxoisoquinolin-2-yl)acetamide has a molecular weight of 436.47 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2-(1-oxoisoquinolin-2-yl)acetamide is sourced from PubChem (CID 3237993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).