6-chloro-2-(4-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide

C23H25ClN4O2 — CID 2221005

IUPAC6-chloro-2-(4-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NN3CCN(C)CC3)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C23H25ClN4O2/c1-3-30-18-7-4-16(5-8-18)22-15-20(19-14-17(24)6-9-21(19)25-22)23(29)26-28-12-10-27(2)11-13-28/h4-9,14-15H,3,10-13H2,1-2H3,(H,26,29)
InChIKeyVXASBNXOVHIRNV-UHFFFAOYSA-N
MW424.93 g/mol
LogP3.85
Rot. Bonds5

About 6-chloro-2-(4-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide

6-chloro-2-(4-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide (PubChem CID 2221005) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 6-chloro-2-(4-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-2-(4-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
PubChem CID2221005
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name6-chloro-2-(4-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NN3CCN(C)CC3)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C23H25ClN4O2/c1-3-30-18-7-4-16(5-8-18)22-15-20(19-14-17(24)6-9-21(19)25-22)23(29)26-28-12-10-27(2)11-13-28/h4-9,14-15H,3,10-13H2,1-2H3,(H,26,29)
InChIKeyVXASBNXOVHIRNV-UHFFFAOYSA-N
XLogP3.85
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The IUPAC name of 6-chloro-2-(4-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide (CID 2221005) is 6-chloro-2-(4-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-2-(4-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The canonical SMILES for 6-chloro-2-(4-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide is CCOc1ccc(-c2cc(C(=O)NN3CCN(C)CC3)c3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 6-chloro-2-(4-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The InChIKey is VXASBNXOVHIRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-3-30-18-7-4-16(5-8-18)22-15-20(19-14-17(24)6-9-21(19)25-22)23(29)26-28-12-10-27(2)11-13-28/h4-9,14-15H,3,10-13H2,1-2H3,(H,26,29).
What are the key properties of 6-chloro-2-(4-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
6-chloro-2-(4-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide has a molecular weight of 424.93 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide is sourced from PubChem (CID 2221005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).