N-[2-(4-ethylpiperazin-1-yl)propyl]-4-quinolin-8-ylbenzamide

C25H30N4O — CID 155945939

IUPACN-[2-(4-ethylpiperazin-1-yl)propyl]-4-quinolin-8-ylbenzamide
SMILESCCN1CCN(C(C)CNC(=O)c2ccc(-c3cccc4cccnc34)cc2)CC1
InChIInChI=1S/C25H30N4O/c1-3-28-14-16-29(17-15-28)19(2)18-27-25(30)22-11-9-20(10-12-22)23-8-4-6-21-7-5-13-26-24(21)23/h4-13,19H,3,14-18H2,1-2H3,(H,27,30)
InChIKeyADBSWWCBMCTKAX-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.66
Rot. Bonds6

About N-[2-(4-ethylpiperazin-1-yl)propyl]-4-quinolin-8-ylbenzamide

N-[2-(4-ethylpiperazin-1-yl)propyl]-4-quinolin-8-ylbenzamide (PubChem CID 155945939) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)propyl]-4-quinolin-8-ylbenzamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)propyl]-4-quinolin-8-ylbenzamide
PubChem CID155945939
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)propyl]-4-quinolin-8-ylbenzamide
SMILESCCN1CCN(C(C)CNC(=O)c2ccc(-c3cccc4cccnc34)cc2)CC1
InChIInChI=1S/C25H30N4O/c1-3-28-14-16-29(17-15-28)19(2)18-27-25(30)22-11-9-20(10-12-22)23-8-4-6-21-7-5-13-26-24(21)23/h4-13,19H,3,14-18H2,1-2H3,(H,27,30)
InChIKeyADBSWWCBMCTKAX-UHFFFAOYSA-N
XLogP3.66
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)propyl]-4-quinolin-8-ylbenzamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)propyl]-4-quinolin-8-ylbenzamide (CID 155945939) is N-[2-(4-ethylpiperazin-1-yl)propyl]-4-quinolin-8-ylbenzamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)propyl]-4-quinolin-8-ylbenzamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)propyl]-4-quinolin-8-ylbenzamide is CCN1CCN(C(C)CNC(=O)c2ccc(-c3cccc4cccnc34)cc2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)propyl]-4-quinolin-8-ylbenzamide?
The InChIKey is ADBSWWCBMCTKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-3-28-14-16-29(17-15-28)19(2)18-27-25(30)22-11-9-20(10-12-22)23-8-4-6-21-7-5-13-26-24(21)23/h4-13,19H,3,14-18H2,1-2H3,(H,27,30).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)propyl]-4-quinolin-8-ylbenzamide?
N-[2-(4-ethylpiperazin-1-yl)propyl]-4-quinolin-8-ylbenzamide has a molecular weight of 402.54 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)propyl]-4-quinolin-8-ylbenzamide is sourced from PubChem (CID 155945939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).