5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-quinolin-2-ylpentanamide

C24H26Cl2N4O — CID 162787951

IUPAC5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-quinolin-2-ylpentanamide
SMILESO=C(CCCCN1CCN(c2cccc(Cl)c2Cl)CC1)Nc1ccc2ccccc2n1
InChIInChI=1S/C24H26Cl2N4O/c25-19-7-5-9-21(24(19)26)30-16-14-29(15-17-30)13-4-3-10-23(31)28-22-12-11-18-6-1-2-8-20(18)27-22/h1-2,5-9,11-12H,3-4,10,13-17H2,(H,27,28,31)
InChIKeyZWKYPMADRRAYHQ-UHFFFAOYSA-N
MW457.41 g/mol
LogP5.47
Rot. Bonds7

About 5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-quinolin-2-ylpentanamide

5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-quinolin-2-ylpentanamide (PubChem CID 162787951) has the molecular formula C24H26Cl2N4O and a molecular weight of 457.41 g/mol. Its IUPAC name is 5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-quinolin-2-ylpentanamide.

Molecular Properties

Compound Name5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-quinolin-2-ylpentanamide
PubChem CID162787951
Molecular FormulaC24H26Cl2N4O
Molecular Weight457.41 g/mol
Exact Mass456.15
IUPAC Name5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-quinolin-2-ylpentanamide
SMILESO=C(CCCCN1CCN(c2cccc(Cl)c2Cl)CC1)Nc1ccc2ccccc2n1
InChIInChI=1S/C24H26Cl2N4O/c25-19-7-5-9-21(24(19)26)30-16-14-29(15-17-30)13-4-3-10-23(31)28-22-12-11-18-6-1-2-8-20(18)27-22/h1-2,5-9,11-12H,3-4,10,13-17H2,(H,27,28,31)
InChIKeyZWKYPMADRRAYHQ-UHFFFAOYSA-N
XLogP5.47
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.41
LogP ≤ 55.47
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-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]quinolin-2-amine
CID 11511026
5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-(4-pyridin-2-ylphenyl)pentanamide
CID 162344971
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]anthracene-2-carboxamide;hydrochloride
CID 21202834
4-[4-(2-chlorophenyl)piperazin-1-yl]butanehydrazide
CID 63571743
1-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965
1-butyl-4-(2,3-dichlorophenyl)piperazine
CID 58358826
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide
CID 59671452
2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]benzo[de]isoquinoline-1,3-dione;hydrochloride
CID 16752492
1-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
CID 69239250
3-[4-[4-(2,3-dichlorophenyl)piperazine-1-carbonyl]phenyl]-1-quinolin-2-ylprop-2-en-1-one
CID 67013306
8-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline
CID 50943740
1-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]pyrrolo[2,3-b]pyridine
CID 142689415

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-quinolin-2-ylpentanamide?
The IUPAC name of 5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-quinolin-2-ylpentanamide (CID 162787951) is 5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-quinolin-2-ylpentanamide.
What is the SMILES notation for 5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-quinolin-2-ylpentanamide?
The canonical SMILES for 5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-quinolin-2-ylpentanamide is O=C(CCCCN1CCN(c2cccc(Cl)c2Cl)CC1)Nc1ccc2ccccc2n1.
What is the InChIKey of 5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-quinolin-2-ylpentanamide?
The InChIKey is ZWKYPMADRRAYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N4O/c25-19-7-5-9-21(24(19)26)30-16-14-29(15-17-30)13-4-3-10-23(31)28-22-12-11-18-6-1-2-8-20(18)27-22/h1-2,5-9,11-12H,3-4,10,13-17H2,(H,27,28,31).
What are the key properties of 5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-quinolin-2-ylpentanamide?
5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-quinolin-2-ylpentanamide has a molecular weight of 457.41 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-quinolin-2-ylpentanamide is sourced from PubChem (CID 162787951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).