N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]quinolin-2-amine

C23H26Cl2N4 — CID 11511026

IUPACN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]quinolin-2-amine
SMILESClc1cccc(N2CCN(CCCCNc3ccc4ccccc4n3)CC2)c1Cl
InChIInChI=1S/C23H26Cl2N4/c24-19-7-5-9-21(23(19)25)29-16-14-28(15-17-29)13-4-3-12-26-22-11-10-18-6-1-2-8-20(18)27-22/h1-2,5-11H,3-4,12-17H2,(H,26,27)
InChIKeyKFOXMHFDNRTETJ-UHFFFAOYSA-N
MW429.40 g/mol
LogP5.56
Rot. Bonds7

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

N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]quinolin-2-amine (PubChem CID 11511026) has the molecular formula C23H26Cl2N4 and a molecular weight of 429.40 g/mol. Its IUPAC name is N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]quinolin-2-amine.

Molecular Properties

Compound NameN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]quinolin-2-amine
PubChem CID11511026
Molecular FormulaC23H26Cl2N4
Molecular Weight429.40 g/mol
Exact Mass428.15
IUPAC NameN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]quinolin-2-amine
SMILESClc1cccc(N2CCN(CCCCNc3ccc4ccccc4n3)CC2)c1Cl
InChIInChI=1S/C23H26Cl2N4/c24-19-7-5-9-21(23(19)25)29-16-14-28(15-17-29)13-4-3-12-26-22-11-10-18-6-1-2-8-20(18)27-22/h1-2,5-11H,3-4,12-17H2,(H,26,27)
InChIKeyKFOXMHFDNRTETJ-UHFFFAOYSA-N
XLogP5.56
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.40
LogP ≤ 55.56
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

5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-quinolin-2-ylpentanamide
CID 162787951
N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine
CID 24805876
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazol-6-amine
CID 56597365
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]anthracene-2-carboxamide;hydrochloride
CID 21202834
1-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965
1-butyl-4-(2,3-dichlorophenyl)piperazine
CID 58358826
N-[4-[4-(2,3-dichlorophenyl)-1,4-diazepan-1-yl]butyl]-1,3-benzothiazol-5-amine
CID 56598875
1-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]pyrrolo[2,3-b]pyridine
CID 142689415
8-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline
CID 50943740
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide
CID 59671452
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide
CID 10873956
2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]benzo[de]isoquinoline-1,3-dione;hydrochloride
CID 16752492

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]quinolin-2-amine?
The IUPAC name of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]quinolin-2-amine (CID 11511026) is N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]quinolin-2-amine.
What is the SMILES notation for N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]quinolin-2-amine?
The canonical SMILES for N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]quinolin-2-amine is Clc1cccc(N2CCN(CCCCNc3ccc4ccccc4n3)CC2)c1Cl.
What is the InChIKey of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]quinolin-2-amine?
The InChIKey is KFOXMHFDNRTETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N4/c24-19-7-5-9-21(23(19)25)29-16-14-28(15-17-29)13-4-3-12-26-22-11-10-18-6-1-2-8-20(18)27-22/h1-2,5-11H,3-4,12-17H2,(H,26,27).
What are the key properties of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]quinolin-2-amine?
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]quinolin-2-amine has a molecular weight of 429.40 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]quinolin-2-amine is sourced from PubChem (CID 11511026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).