2-[4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperazin-1-yl]-N-[2-(diethylamino)ethyl]-2-oxoacetamide

C23H33ClN6O2 — CID 46227175

IUPAC2-[4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperazin-1-yl]-N-[2-(diethylamino)ethyl]-2-oxoacetamide
SMILESCCN(CC)CCNC(=O)C(=O)N1CCN(CCNc2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C23H33ClN6O2/c1-3-28(4-2)11-10-27-22(31)23(32)30-15-13-29(14-16-30)12-9-26-20-7-8-25-21-17-18(24)5-6-19(20)21/h5-8,17H,3-4,9-16H2,1-2H3,(H,25,26)(H,27,31)
InChIKeyHSGYRVYOYVOYMT-UHFFFAOYSA-N
MW461.01 g/mol
LogP1.90
Rot. Bonds9

About 2-[4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperazin-1-yl]-N-[2-(diethylamino)ethyl]-2-oxoacetamide

2-[4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperazin-1-yl]-N-[2-(diethylamino)ethyl]-2-oxoacetamide (PubChem CID 46227175) has the molecular formula C23H33ClN6O2 and a molecular weight of 461.01 g/mol. Its IUPAC name is 2-[4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperazin-1-yl]-N-[2-(diethylamino)ethyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperazin-1-yl]-N-[2-(diethylamino)ethyl]-2-oxoacetamide
PubChem CID46227175
Molecular FormulaC23H33ClN6O2
Molecular Weight461.01 g/mol
Exact Mass460.24
IUPAC Name2-[4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperazin-1-yl]-N-[2-(diethylamino)ethyl]-2-oxoacetamide
SMILESCCN(CC)CCNC(=O)C(=O)N1CCN(CCNc2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C23H33ClN6O2/c1-3-28(4-2)11-10-27-22(31)23(32)30-15-13-29(14-16-30)12-9-26-20-7-8-25-21-17-18(24)5-6-19(20)21/h5-8,17H,3-4,9-16H2,1-2H3,(H,25,26)(H,27,31)
InChIKeyHSGYRVYOYVOYMT-UHFFFAOYSA-N
XLogP1.90
TPSA80.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.01
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperazin-1-yl]-N-[2-(diethylamino)ethyl]-2-oxoacetamide with MolForge

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Related Compounds

N-(7-chloroquinolin-4-yl)-N',N'-diethylbutane-1,4-diamine;phosphoric acid
CID 54601191
3-[(7-chloroquinolin-4-yl)amino]-N,N-diethylpropanamide
CID 60926754
N-[3-[4-[3-(butylamino)propyl]piperazin-1-yl]propyl]-7-chloroquinolin-4-amine
CID 11112538
N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]pentanamide
CID 42704553
N-[2-[bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]benzamide
CID 42707271
3-[(7-chloroquinolin-4-yl)amino]-N-propylpropanamide
CID 61065277
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
CID 42743564
7-chloro-N-[3-[4-[3-(heptylamino)propyl]piperazin-1-yl]propyl]quinolin-4-amine
CID 11048809
N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62639989
7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine
CID 11824896
7-chloro-N-[2-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]ethyl]quinolin-4-amine
CID 52942606
N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine
CID 132819923

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperazin-1-yl]-N-[2-(diethylamino)ethyl]-2-oxoacetamide?
The IUPAC name of 2-[4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperazin-1-yl]-N-[2-(diethylamino)ethyl]-2-oxoacetamide (CID 46227175) is 2-[4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperazin-1-yl]-N-[2-(diethylamino)ethyl]-2-oxoacetamide.
What is the SMILES notation for 2-[4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperazin-1-yl]-N-[2-(diethylamino)ethyl]-2-oxoacetamide?
The canonical SMILES for 2-[4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperazin-1-yl]-N-[2-(diethylamino)ethyl]-2-oxoacetamide is CCN(CC)CCNC(=O)C(=O)N1CCN(CCNc2ccnc3cc(Cl)ccc23)CC1.
What is the InChIKey of 2-[4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperazin-1-yl]-N-[2-(diethylamino)ethyl]-2-oxoacetamide?
The InChIKey is HSGYRVYOYVOYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33ClN6O2/c1-3-28(4-2)11-10-27-22(31)23(32)30-15-13-29(14-16-30)12-9-26-20-7-8-25-21-17-18(24)5-6-19(20)21/h5-8,17H,3-4,9-16H2,1-2H3,(H,25,26)(H,27,31).
What are the key properties of 2-[4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperazin-1-yl]-N-[2-(diethylamino)ethyl]-2-oxoacetamide?
2-[4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperazin-1-yl]-N-[2-(diethylamino)ethyl]-2-oxoacetamide has a molecular weight of 461.01 g/mol, XLogP of 1.90, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperazin-1-yl]-N-[2-(diethylamino)ethyl]-2-oxoacetamide is sourced from PubChem (CID 46227175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).