2-(3-chlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide

C21H21ClN4O — CID 1261842

IUPAC2-(3-chlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
SMILESCN1CCN(NC(=O)c2cc(-c3cccc(Cl)c3)nc3ccccc23)CC1
InChIInChI=1S/C21H21ClN4O/c1-25-9-11-26(12-10-25)24-21(27)18-14-20(15-5-4-6-16(22)13-15)23-19-8-3-2-7-17(18)19/h2-8,13-14H,9-12H2,1H3,(H,24,27)
InChIKeyZCLSWANBIMRYSY-UHFFFAOYSA-N
MW380.88 g/mol
LogP3.45
Rot. Bonds3

About 2-(3-chlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide

2-(3-chlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide (PubChem CID 1261842) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
PubChem CID1261842
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC Name2-(3-chlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
SMILESCN1CCN(NC(=O)c2cc(-c3cccc(Cl)c3)nc3ccccc23)CC1
InChIInChI=1S/C21H21ClN4O/c1-25-9-11-26(12-10-25)24-21(27)18-14-20(15-5-4-6-16(22)13-15)23-19-8-3-2-7-17(18)19/h2-8,13-14H,9-12H2,1H3,(H,24,27)
InChIKeyZCLSWANBIMRYSY-UHFFFAOYSA-N
XLogP3.45
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide (CID 1261842) is 2-(3-chlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide is CN1CCN(NC(=O)c2cc(-c3cccc(Cl)c3)nc3ccccc23)CC1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The InChIKey is ZCLSWANBIMRYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-25-9-11-26(12-10-25)24-21(27)18-14-20(15-5-4-6-16(22)13-15)23-19-8-3-2-7-17(18)19/h2-8,13-14H,9-12H2,1H3,(H,24,27).
What are the key properties of 2-(3-chlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
2-(3-chlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide is sourced from PubChem (CID 1261842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).