methane;N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]quinoline-2-carboxamide

C26H34N4O — CID 161383648

IUPACmethane;N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]quinoline-2-carboxamide
SMILESC.Cc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4n3)CC2)c1
InChIInChI=1S/C25H30N4O.CH4/c1-20-7-6-9-22(19-20)29-17-15-28(16-18-29)14-5-4-13-26-25(30)24-12-11-21-8-2-3-10-23(21)27-24;/h2-3,6-12,19H,4-5,13-18H2,1H3,(H,26,30);1H4
InChIKeyVSAXUGKREJWOMF-UHFFFAOYSA-N
MW418.59 g/mol
LogP4.51
Rot. Bonds7

About methane;N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]quinoline-2-carboxamide

methane;N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]quinoline-2-carboxamide (PubChem CID 161383648) has the molecular formula C26H34N4O and a molecular weight of 418.59 g/mol. Its IUPAC name is methane;N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]quinoline-2-carboxamide.

Molecular Properties

Compound Namemethane;N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]quinoline-2-carboxamide
PubChem CID161383648
Molecular FormulaC26H34N4O
Molecular Weight418.59 g/mol
Exact Mass418.27
IUPAC Namemethane;N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]quinoline-2-carboxamide
SMILESC.Cc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4n3)CC2)c1
InChIInChI=1S/C25H30N4O.CH4/c1-20-7-6-9-22(19-20)29-17-15-28(16-18-29)14-5-4-13-26-25(30)24-12-11-21-8-2-3-10-23(21)27-24;/h2-3,6-12,19H,4-5,13-18H2,1H3,(H,26,30);1H4
InChIKeyVSAXUGKREJWOMF-UHFFFAOYSA-N
XLogP4.51
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-2-carboxamide
CID 51073449
2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 86981700
N-(3-pyrrolidin-1-ylpropyl)quinoline-2-carboxamide
CID 51110395
2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 39306024
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1-phenyltriazole-4-carboxamide
CID 46431818
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1,2,5-thiadiazole-3-carboxamide
CID 87010293
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyrazine-2-carboxamide
CID 38440983
2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 38441075
methyl 5-[4-[4-(3-methylphenyl)piperazin-1-yl]butylcarbamoyl]pyridine-2-carboxylate
CID 112822713
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60513204
(E)-3-(1,3-benzothiazol-2-yl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]prop-2-enamide
CID 55671455
2-methoxy-5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 55662172

Frequently Asked Questions

What is the IUPAC name of methane;N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]quinoline-2-carboxamide?
The IUPAC name of methane;N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]quinoline-2-carboxamide (CID 161383648) is methane;N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]quinoline-2-carboxamide.
What is the SMILES notation for methane;N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]quinoline-2-carboxamide?
The canonical SMILES for methane;N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]quinoline-2-carboxamide is C.Cc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4n3)CC2)c1.
What is the InChIKey of methane;N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]quinoline-2-carboxamide?
The InChIKey is VSAXUGKREJWOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O.CH4/c1-20-7-6-9-22(19-20)29-17-15-28(16-18-29)14-5-4-13-26-25(30)24-12-11-21-8-2-3-10-23(21)27-24;/h2-3,6-12,19H,4-5,13-18H2,1H3,(H,26,30);1H4.
What are the key properties of methane;N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]quinoline-2-carboxamide?
methane;N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]quinoline-2-carboxamide has a molecular weight of 418.59 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]quinoline-2-carboxamide is sourced from PubChem (CID 161383648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).