N-[4-(4-ethylpiperazin-1-yl)phenyl]quinoline-5-carboxamide

C22H24N4O — CID 644850

IUPACN-[4-(4-ethylpiperazin-1-yl)phenyl]quinoline-5-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3cccc4ncccc34)cc2)CC1
InChIInChI=1S/C22H24N4O/c1-2-25-13-15-26(16-14-25)18-10-8-17(9-11-18)24-22(27)20-5-3-7-21-19(20)6-4-12-23-21/h3-12H,2,13-16H2,1H3,(H,24,27)
InChIKeyGTWWWWLXOJAHLJ-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.63
Rot. Bonds4

About N-[4-(4-ethylpiperazin-1-yl)phenyl]quinoline-5-carboxamide

N-[4-(4-ethylpiperazin-1-yl)phenyl]quinoline-5-carboxamide (PubChem CID 644850) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)phenyl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)phenyl]quinoline-5-carboxamide
PubChem CID644850
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)phenyl]quinoline-5-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3cccc4ncccc34)cc2)CC1
InChIInChI=1S/C22H24N4O/c1-2-25-13-15-26(16-14-25)18-10-8-17(9-11-18)24-22(27)20-5-3-7-21-19(20)6-4-12-23-21/h3-12H,2,13-16H2,1H3,(H,24,27)
InChIKeyGTWWWWLXOJAHLJ-UHFFFAOYSA-N
XLogP3.63
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]quinoline-5-carboxamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]quinoline-5-carboxamide (CID 644850) is N-[4-(4-ethylpiperazin-1-yl)phenyl]quinoline-5-carboxamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)phenyl]quinoline-5-carboxamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)phenyl]quinoline-5-carboxamide is CCN1CCN(c2ccc(NC(=O)c3cccc4ncccc34)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)phenyl]quinoline-5-carboxamide?
The InChIKey is GTWWWWLXOJAHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-2-25-13-15-26(16-14-25)18-10-8-17(9-11-18)24-22(27)20-5-3-7-21-19(20)6-4-12-23-21/h3-12H,2,13-16H2,1H3,(H,24,27).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)phenyl]quinoline-5-carboxamide?
N-[4-(4-ethylpiperazin-1-yl)phenyl]quinoline-5-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)phenyl]quinoline-5-carboxamide is sourced from PubChem (CID 644850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).