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

C22H32ClN5O — CID 10862650

IUPACN-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]propanamide
SMILESCCC(=O)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C22H32ClN5O/c1-2-22(29)26-9-4-12-28-15-13-27(14-16-28)11-3-8-24-20-7-10-25-21-17-18(23)5-6-19(20)21/h5-7,10,17H,2-4,8-9,11-16H2,1H3,(H,24,25)(H,26,29)
InChIKeySVMPLHVKZDJKTF-UHFFFAOYSA-N
MW417.99 g/mol
LogP3.22
Rot. Bonds10

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

N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]propanamide (PubChem CID 10862650) has the molecular formula C22H32ClN5O and a molecular weight of 417.99 g/mol. Its IUPAC name is N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]propanamide.

Molecular Properties

Compound NameN-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]propanamide
PubChem CID10862650
Molecular FormulaC22H32ClN5O
Molecular Weight417.99 g/mol
Exact Mass417.23
IUPAC NameN-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]propanamide
SMILESCCC(=O)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C22H32ClN5O/c1-2-22(29)26-9-4-12-28-15-13-27(14-16-28)11-3-8-24-20-7-10-25-21-17-18(23)5-6-19(20)21/h5-7,10,17H,2-4,8-9,11-16H2,1H3,(H,24,25)(H,26,29)
InChIKeySVMPLHVKZDJKTF-UHFFFAOYSA-N
XLogP3.22
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.99
LogP ≤ 53.22
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]propanamide?
The IUPAC name of N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]propanamide (CID 10862650) is N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]propanamide.
What is the SMILES notation for N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]propanamide?
The canonical SMILES for N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]propanamide is CCC(=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]propanamide?
The InChIKey is SVMPLHVKZDJKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32ClN5O/c1-2-22(29)26-9-4-12-28-15-13-27(14-16-28)11-3-8-24-20-7-10-25-21-17-18(23)5-6-19(20)21/h5-7,10,17H,2-4,8-9,11-16H2,1H3,(H,24,25)(H,26,29).
What are the key properties of N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]propanamide?
N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]propanamide has a molecular weight of 417.99 g/mol, XLogP of 3.22, 10 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]propanamide is sourced from PubChem (CID 10862650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).