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

C22H26N4O2 — CID 78813275

IUPAC2-(furan-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-4-carboxamide
SMILESCN1CCN(CCCNC(=O)c2cc(-c3ccco3)nc3ccccc23)CC1
InChIInChI=1S/C22H26N4O2/c1-25-11-13-26(14-12-25)10-5-9-23-22(27)18-16-20(21-8-4-15-28-21)24-19-7-3-2-6-17(18)19/h2-4,6-8,15-16H,5,9-14H2,1H3,(H,23,27)
InChIKeyDQNHZRBJHGPGMS-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.86
Rot. Bonds6

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

2-(furan-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-4-carboxamide (PubChem CID 78813275) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-4-carboxamide
PubChem CID78813275
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-(furan-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-4-carboxamide
SMILESCN1CCN(CCCNC(=O)c2cc(-c3ccco3)nc3ccccc23)CC1
InChIInChI=1S/C22H26N4O2/c1-25-11-13-26(14-12-25)10-5-9-23-22(27)18-16-20(21-8-4-15-28-21)24-19-7-3-2-6-17(18)19/h2-4,6-8,15-16H,5,9-14H2,1H3,(H,23,27)
InChIKeyDQNHZRBJHGPGMS-UHFFFAOYSA-N
XLogP2.86
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.86
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

N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 60553437
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
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
1-[2-(furan-2-yl)quinolin-4-yl]-5-piperidin-1-ylpentan-1-one
CID 149146668
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
N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3637493
2-(5-bromothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 22422673

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-4-carboxamide (CID 78813275) is 2-(furan-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-4-carboxamide is CN1CCN(CCCNC(=O)c2cc(-c3ccco3)nc3ccccc23)CC1.
What is the InChIKey of 2-(furan-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-4-carboxamide?
The InChIKey is DQNHZRBJHGPGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-25-11-13-26(14-12-25)10-5-9-23-22(27)18-16-20(21-8-4-15-28-21)24-19-7-3-2-6-17(18)19/h2-4,6-8,15-16H,5,9-14H2,1H3,(H,23,27).
What are the key properties of 2-(furan-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-4-carboxamide?
2-(furan-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-4-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-4-carboxamide is sourced from PubChem (CID 78813275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).