N-(6-chloro-2-piperazin-1-ylquinolin-5-yl)-3-(2,4-dichlorophenyl)propanamide

C22H21Cl3N4O — CID 11190463

IUPACN-(6-chloro-2-piperazin-1-ylquinolin-5-yl)-3-(2,4-dichlorophenyl)propanamide
SMILESO=C(CCc1ccc(Cl)cc1Cl)Nc1c(Cl)ccc2nc(N3CCNCC3)ccc12
InChIInChI=1S/C22H21Cl3N4O/c23-15-3-1-14(18(25)13-15)2-8-21(30)28-22-16-4-7-20(29-11-9-26-10-12-29)27-19(16)6-5-17(22)24/h1,3-7,13,26H,2,8-12H2,(H,28,30)
InChIKeyZOZCOBFRWRSKQM-UHFFFAOYSA-N
MW463.80 g/mol
LogP5.18
Rot. Bonds5

About N-(6-chloro-2-piperazin-1-ylquinolin-5-yl)-3-(2,4-dichlorophenyl)propanamide

N-(6-chloro-2-piperazin-1-ylquinolin-5-yl)-3-(2,4-dichlorophenyl)propanamide (PubChem CID 11190463) has the molecular formula C22H21Cl3N4O and a molecular weight of 463.80 g/mol. Its IUPAC name is N-(6-chloro-2-piperazin-1-ylquinolin-5-yl)-3-(2,4-dichlorophenyl)propanamide.

Molecular Properties

Compound NameN-(6-chloro-2-piperazin-1-ylquinolin-5-yl)-3-(2,4-dichlorophenyl)propanamide
PubChem CID11190463
Molecular FormulaC22H21Cl3N4O
Molecular Weight463.80 g/mol
Exact Mass462.08
IUPAC NameN-(6-chloro-2-piperazin-1-ylquinolin-5-yl)-3-(2,4-dichlorophenyl)propanamide
SMILESO=C(CCc1ccc(Cl)cc1Cl)Nc1c(Cl)ccc2nc(N3CCNCC3)ccc12
InChIInChI=1S/C22H21Cl3N4O/c23-15-3-1-14(18(25)13-15)2-8-21(30)28-22-16-4-7-20(29-11-9-26-10-12-29)27-19(16)6-5-17(22)24/h1,3-7,13,26H,2,8-12H2,(H,28,30)
InChIKeyZOZCOBFRWRSKQM-UHFFFAOYSA-N
XLogP5.18
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.80
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-piperazin-1-ylquinolin-5-yl)-3-(2,4-dichlorophenyl)propanamide?
The IUPAC name of N-(6-chloro-2-piperazin-1-ylquinolin-5-yl)-3-(2,4-dichlorophenyl)propanamide (CID 11190463) is N-(6-chloro-2-piperazin-1-ylquinolin-5-yl)-3-(2,4-dichlorophenyl)propanamide.
What is the SMILES notation for N-(6-chloro-2-piperazin-1-ylquinolin-5-yl)-3-(2,4-dichlorophenyl)propanamide?
The canonical SMILES for N-(6-chloro-2-piperazin-1-ylquinolin-5-yl)-3-(2,4-dichlorophenyl)propanamide is O=C(CCc1ccc(Cl)cc1Cl)Nc1c(Cl)ccc2nc(N3CCNCC3)ccc12.
What is the InChIKey of N-(6-chloro-2-piperazin-1-ylquinolin-5-yl)-3-(2,4-dichlorophenyl)propanamide?
The InChIKey is ZOZCOBFRWRSKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl3N4O/c23-15-3-1-14(18(25)13-15)2-8-21(30)28-22-16-4-7-20(29-11-9-26-10-12-29)27-19(16)6-5-17(22)24/h1,3-7,13,26H,2,8-12H2,(H,28,30).
What are the key properties of N-(6-chloro-2-piperazin-1-ylquinolin-5-yl)-3-(2,4-dichlorophenyl)propanamide?
N-(6-chloro-2-piperazin-1-ylquinolin-5-yl)-3-(2,4-dichlorophenyl)propanamide has a molecular weight of 463.80 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-piperazin-1-ylquinolin-5-yl)-3-(2,4-dichlorophenyl)propanamide is sourced from PubChem (CID 11190463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).