N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]butanamide

C23H34ClN5O — CID 11144520

IUPACN-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]butanamide
SMILESCCCC(=O)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C23H34ClN5O/c1-2-5-23(30)27-10-4-13-29-16-14-28(15-17-29)12-3-9-25-21-8-11-26-22-18-19(24)6-7-20(21)22/h6-8,11,18H,2-5,9-10,12-17H2,1H3,(H,25,26)(H,27,30)
InChIKeyUADGWMNUOFMALR-UHFFFAOYSA-N
MW432.01 g/mol
LogP3.61
Rot. Bonds11

About N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]butanamide

N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]butanamide (PubChem CID 11144520) has the molecular formula C23H34ClN5O and a molecular weight of 432.01 g/mol. Its IUPAC name is N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]butanamide.

Molecular Properties

Compound NameN-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]butanamide
PubChem CID11144520
Molecular FormulaC23H34ClN5O
Molecular Weight432.01 g/mol
Exact Mass431.25
IUPAC NameN-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]butanamide
SMILESCCCC(=O)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C23H34ClN5O/c1-2-5-23(30)27-10-4-13-29-16-14-28(15-17-29)12-3-9-25-21-8-11-26-22-18-19(24)6-7-20(21)22/h6-8,11,18H,2-5,9-10,12-17H2,1H3,(H,25,26)(H,27,30)
InChIKeyUADGWMNUOFMALR-UHFFFAOYSA-N
XLogP3.61
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.01
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]butanamide?
The IUPAC name of N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]butanamide (CID 11144520) is N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]butanamide.
What is the SMILES notation for N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]butanamide?
The canonical SMILES for N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]butanamide is CCCC(=O)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1.
What is the InChIKey of N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]butanamide?
The InChIKey is UADGWMNUOFMALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34ClN5O/c1-2-5-23(30)27-10-4-13-29-16-14-28(15-17-29)12-3-9-25-21-8-11-26-22-18-19(24)6-7-20(21)22/h6-8,11,18H,2-5,9-10,12-17H2,1H3,(H,25,26)(H,27,30).
What are the key properties of N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]butanamide?
N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]butanamide has a molecular weight of 432.01 g/mol, XLogP of 3.61, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]butanamide is sourced from PubChem (CID 11144520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).