N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)quinoline-4-carboxamide

C23H28N4O2 — CID 60553437

IUPACN-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)quinoline-4-carboxamide
SMILESCCN1CCN(CCCNC(=O)c2cc(-c3ccco3)nc3ccccc23)CC1
InChIInChI=1S/C23H28N4O2/c1-2-26-12-14-27(15-13-26)11-6-10-24-23(28)19-17-21(22-9-5-16-29-22)25-20-8-4-3-7-18(19)20/h3-5,7-9,16-17H,2,6,10-15H2,1H3,(H,24,28)
InChIKeyBYRSZZMRUCQAMF-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.25
Rot. Bonds7

About N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)quinoline-4-carboxamide

N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)quinoline-4-carboxamide (PubChem CID 60553437) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)quinoline-4-carboxamide
PubChem CID60553437
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)quinoline-4-carboxamide
SMILESCCN1CCN(CCCNC(=O)c2cc(-c3ccco3)nc3ccccc23)CC1
InChIInChI=1S/C23H28N4O2/c1-2-26-12-14-27(15-13-26)11-6-10-24-23(28)19-17-21(22-9-5-16-29-22)25-20-8-4-3-7-18(19)20/h3-5,7-9,16-17H,2,6,10-15H2,1H3,(H,24,28)
InChIKeyBYRSZZMRUCQAMF-UHFFFAOYSA-N
XLogP3.25
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(furan-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-4-carboxamide
CID 78813275
N-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 4192336
2-(3-methoxyphenyl)-N-[3-[4-[3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]piperazin-1-yl]propyl]quinoline-4-carboxamide
CID 4139661
1-[2-(furan-2-yl)quinolin-4-yl]-5-piperidin-1-ylpentan-1-one
CID 149146668
2-(furan-2-yl)-6-methyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 42749836
2-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]quinoline-4-carboxamide
CID 39515438
2-(furan-2-yl)-N-(2-hydroxypropyl)quinoline-4-carboxamide
CID 78800391
N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3637493
N-[(2-fluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 4847591
2-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 2965752
N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4077298
2-(5-bromothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 22422673

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)quinoline-4-carboxamide (CID 60553437) is N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)quinoline-4-carboxamide is CCN1CCN(CCCNC(=O)c2cc(-c3ccco3)nc3ccccc23)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)quinoline-4-carboxamide?
The InChIKey is BYRSZZMRUCQAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-2-26-12-14-27(15-13-26)11-6-10-24-23(28)19-17-21(22-9-5-16-29-22)25-20-8-4-3-7-18(19)20/h3-5,7-9,16-17H,2,6,10-15H2,1H3,(H,24,28).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)quinoline-4-carboxamide?
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)quinoline-4-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 60553437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).