2-chloro-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]quinoline-6-carboxamide

C23H25ClN4O — CID 55731125

IUPAC2-chloro-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]quinoline-6-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccc4nc(Cl)ccc4c3)c(C)c2)CC1
InChIInChI=1S/C23H25ClN4O/c1-3-27-10-12-28(13-11-27)19-6-8-20(16(2)14-19)26-23(29)18-4-7-21-17(15-18)5-9-22(24)25-21/h4-9,14-15H,3,10-13H2,1-2H3,(H,26,29)
InChIKeyXIQJBGCAOGSCLZ-UHFFFAOYSA-N
MW408.93 g/mol
LogP4.59
Rot. Bonds4

About 2-chloro-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]quinoline-6-carboxamide

2-chloro-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]quinoline-6-carboxamide (PubChem CID 55731125) has the molecular formula C23H25ClN4O and a molecular weight of 408.93 g/mol. Its IUPAC name is 2-chloro-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]quinoline-6-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]quinoline-6-carboxamide
PubChem CID55731125
Molecular FormulaC23H25ClN4O
Molecular Weight408.93 g/mol
Exact Mass408.17
IUPAC Name2-chloro-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]quinoline-6-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccc4nc(Cl)ccc4c3)c(C)c2)CC1
InChIInChI=1S/C23H25ClN4O/c1-3-27-10-12-28(13-11-27)19-6-8-20(16(2)14-19)26-23(29)18-4-7-21-17(15-18)5-9-22(24)25-21/h4-9,14-15H,3,10-13H2,1-2H3,(H,26,29)
InChIKeyXIQJBGCAOGSCLZ-UHFFFAOYSA-N
XLogP4.59
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide
CID 36565155
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-fluoro-4-methylbenzamide
CID 36566549
methyl 4-[[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]carbamoyl]benzoate
CID 36563389
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-4-(trifluoromethyl)benzamide
CID 34194003
1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]pyrazole-4-carboxamide
CID 55773781
3-ethoxy-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-4-methoxybenzamide
CID 36564372
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-6-methoxypyridine-3-carboxamide
CID 36566710
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]thiophene-3-carboxamide
CID 78802774
4-chloro-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 35893373
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide
CID 46404460
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 78776043
4-(difluoromethylsulfonyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide
CID 34193952

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]quinoline-6-carboxamide?
The IUPAC name of 2-chloro-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]quinoline-6-carboxamide (CID 55731125) is 2-chloro-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]quinoline-6-carboxamide.
What is the SMILES notation for 2-chloro-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]quinoline-6-carboxamide?
The canonical SMILES for 2-chloro-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]quinoline-6-carboxamide is CCN1CCN(c2ccc(NC(=O)c3ccc4nc(Cl)ccc4c3)c(C)c2)CC1.
What is the InChIKey of 2-chloro-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]quinoline-6-carboxamide?
The InChIKey is XIQJBGCAOGSCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O/c1-3-27-10-12-28(13-11-27)19-6-8-20(16(2)14-19)26-23(29)18-4-7-21-17(15-18)5-9-22(24)25-21/h4-9,14-15H,3,10-13H2,1-2H3,(H,26,29).
What are the key properties of 2-chloro-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]quinoline-6-carboxamide?
2-chloro-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]quinoline-6-carboxamide has a molecular weight of 408.93 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]quinoline-6-carboxamide is sourced from PubChem (CID 55731125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).