N-(2-butyl-3-propylquinolin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide

C27H34N4O3 — CID 2855124

IUPACN-(2-butyl-3-propylquinolin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
SMILESCCCCc1nc2ccccc2c(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)c1CCC
InChIInChI=1S/C27H34N4O3/c1-3-5-11-22-20(9-4-2)26(21-10-6-7-12-23(21)28-22)29-25(32)19-30-14-16-31(17-15-30)27(33)24-13-8-18-34-24/h6-8,10,12-13,18H,3-5,9,11,14-17,19H2,1-2H3,(H,28,29,32)
InChIKeyAGLKMKIRVTZKQI-UHFFFAOYSA-N
MW462.59 g/mol
LogP4.52
Rot. Bonds9

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

N-(2-butyl-3-propylquinolin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 2855124) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is N-(2-butyl-3-propylquinolin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-butyl-3-propylquinolin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID2855124
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC NameN-(2-butyl-3-propylquinolin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
SMILESCCCCc1nc2ccccc2c(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)c1CCC
InChIInChI=1S/C27H34N4O3/c1-3-5-11-22-20(9-4-2)26(21-10-6-7-12-23(21)28-22)29-25(32)19-30-14-16-31(17-15-30)27(33)24-13-8-18-34-24/h6-8,10,12-13,18H,3-5,9,11,14-17,19H2,1-2H3,(H,28,29,32)
InChIKeyAGLKMKIRVTZKQI-UHFFFAOYSA-N
XLogP4.52
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-butyl-3-propylquinolin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-butyl-3-propylquinolin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide (CID 2855124) is N-(2-butyl-3-propylquinolin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-butyl-3-propylquinolin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-butyl-3-propylquinolin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide is CCCCc1nc2ccccc2c(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)c1CCC.
What is the InChIKey of N-(2-butyl-3-propylquinolin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is AGLKMKIRVTZKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-3-5-11-22-20(9-4-2)26(21-10-6-7-12-23(21)28-22)29-25(32)19-30-14-16-31(17-15-30)27(33)24-13-8-18-34-24/h6-8,10,12-13,18H,3-5,9,11,14-17,19H2,1-2H3,(H,28,29,32).
What are the key properties of N-(2-butyl-3-propylquinolin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
N-(2-butyl-3-propylquinolin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 462.59 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butyl-3-propylquinolin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 2855124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).