N-(2-ethyl-3-methylquinolin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide

C23H26N4O3 — CID 1069117

IUPACN-(2-ethyl-3-methylquinolin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
SMILESCCc1nc2ccccc2c(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)c1C
InChIInChI=1S/C23H26N4O3/c1-3-18-16(2)22(17-7-4-5-8-19(17)24-18)25-21(28)15-26-10-12-27(13-11-26)23(29)20-9-6-14-30-20/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,25,28)
InChIKeyVRWKZDAZWSZAKX-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.10
Rot. Bonds5

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

N-(2-ethyl-3-methylquinolin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 1069117) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-(2-ethyl-3-methylquinolin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethyl-3-methylquinolin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID1069117
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-(2-ethyl-3-methylquinolin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
SMILESCCc1nc2ccccc2c(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)c1C
InChIInChI=1S/C23H26N4O3/c1-3-18-16(2)22(17-7-4-5-8-19(17)24-18)25-21(28)15-26-10-12-27(13-11-26)23(29)20-9-6-14-30-20/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,25,28)
InChIKeyVRWKZDAZWSZAKX-UHFFFAOYSA-N
XLogP3.10
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-3-methylquinolin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-ethyl-3-methylquinolin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide (CID 1069117) is N-(2-ethyl-3-methylquinolin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethyl-3-methylquinolin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-ethyl-3-methylquinolin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide is CCc1nc2ccccc2c(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)c1C.
What is the InChIKey of N-(2-ethyl-3-methylquinolin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is VRWKZDAZWSZAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-3-18-16(2)22(17-7-4-5-8-19(17)24-18)25-21(28)15-26-10-12-27(13-11-26)23(29)20-9-6-14-30-20/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,25,28).
What are the key properties of N-(2-ethyl-3-methylquinolin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
N-(2-ethyl-3-methylquinolin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 406.49 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-3-methylquinolin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 1069117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).