N-(3-ethyl-2-propylquinolin-4-yl)-2-(4-phenylpiperazine-1,4-diium-1-yl)acetamide

C26H34N4O+2 — CID 3585973

IUPACN-(3-ethyl-2-propylquinolin-4-yl)-2-(4-phenylpiperazine-1,4-diium-1-yl)acetamide
SMILESCCCc1nc2ccccc2c(NC(=O)C[NH+]2CC[NH+](c3ccccc3)CC2)c1CC
InChIInChI=1S/C26H32N4O/c1-3-10-23-21(4-2)26(22-13-8-9-14-24(22)27-23)28-25(31)19-29-15-17-30(18-16-29)20-11-6-5-7-12-20/h5-9,11-14H,3-4,10,15-19H2,1-2H3,(H,27,28,31)/p+2
InChIKeyUOLZNQRAXXBWHW-UHFFFAOYSA-P
MW418.59 g/mol
LogP1.80
Rot. Bonds7

About N-(3-ethyl-2-propylquinolin-4-yl)-2-(4-phenylpiperazine-1,4-diium-1-yl)acetamide

N-(3-ethyl-2-propylquinolin-4-yl)-2-(4-phenylpiperazine-1,4-diium-1-yl)acetamide (PubChem CID 3585973) has the molecular formula C26H34N4O+2 and a molecular weight of 418.59 g/mol. Its IUPAC name is N-(3-ethyl-2-propylquinolin-4-yl)-2-(4-phenylpiperazine-1,4-diium-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethyl-2-propylquinolin-4-yl)-2-(4-phenylpiperazine-1,4-diium-1-yl)acetamide
PubChem CID3585973
Molecular FormulaC26H34N4O+2
Molecular Weight418.59 g/mol
Exact Mass418.27
IUPAC NameN-(3-ethyl-2-propylquinolin-4-yl)-2-(4-phenylpiperazine-1,4-diium-1-yl)acetamide
SMILESCCCc1nc2ccccc2c(NC(=O)C[NH+]2CC[NH+](c3ccccc3)CC2)c1CC
InChIInChI=1S/C26H32N4O/c1-3-10-23-21(4-2)26(22-13-8-9-14-24(22)27-23)28-25(31)19-29-15-17-30(18-16-29)20-11-6-5-7-12-20/h5-9,11-14H,3-4,10,15-19H2,1-2H3,(H,27,28,31)/p+2
InChIKeyUOLZNQRAXXBWHW-UHFFFAOYSA-P
XLogP1.80
TPSA50.87 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-propylquinolin-4-yl)-2-(4-phenylpiperazine-1,4-diium-1-yl)acetamide?
The IUPAC name of N-(3-ethyl-2-propylquinolin-4-yl)-2-(4-phenylpiperazine-1,4-diium-1-yl)acetamide (CID 3585973) is N-(3-ethyl-2-propylquinolin-4-yl)-2-(4-phenylpiperazine-1,4-diium-1-yl)acetamide.
What is the SMILES notation for N-(3-ethyl-2-propylquinolin-4-yl)-2-(4-phenylpiperazine-1,4-diium-1-yl)acetamide?
The canonical SMILES for N-(3-ethyl-2-propylquinolin-4-yl)-2-(4-phenylpiperazine-1,4-diium-1-yl)acetamide is CCCc1nc2ccccc2c(NC(=O)C[NH+]2CC[NH+](c3ccccc3)CC2)c1CC.
What is the InChIKey of N-(3-ethyl-2-propylquinolin-4-yl)-2-(4-phenylpiperazine-1,4-diium-1-yl)acetamide?
The InChIKey is UOLZNQRAXXBWHW-UHFFFAOYSA-P. The full InChI is InChI=1S/C26H32N4O/c1-3-10-23-21(4-2)26(22-13-8-9-14-24(22)27-23)28-25(31)19-29-15-17-30(18-16-29)20-11-6-5-7-12-20/h5-9,11-14H,3-4,10,15-19H2,1-2H3,(H,27,28,31)/p+2.
What are the key properties of N-(3-ethyl-2-propylquinolin-4-yl)-2-(4-phenylpiperazine-1,4-diium-1-yl)acetamide?
N-(3-ethyl-2-propylquinolin-4-yl)-2-(4-phenylpiperazine-1,4-diium-1-yl)acetamide has a molecular weight of 418.59 g/mol, XLogP of 1.80, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-propylquinolin-4-yl)-2-(4-phenylpiperazine-1,4-diium-1-yl)acetamide is sourced from PubChem (CID 3585973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).