[6-chloro-4-(5-chloro-2,4-dimethoxyanilino)quinolin-3-yl]-pyrrolidin-1-ylmethanone

C22H21Cl2N3O3 — CID 53001764

IUPAC[6-chloro-4-(5-chloro-2,4-dimethoxyanilino)quinolin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1cc(OC)c(Nc2c(C(=O)N3CCCC3)cnc3ccc(Cl)cc23)cc1Cl
InChIInChI=1S/C22H21Cl2N3O3/c1-29-19-11-20(30-2)18(10-16(19)24)26-21-14-9-13(23)5-6-17(14)25-12-15(21)22(28)27-7-3-4-8-27/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,25,26)
InChIKeyXCJSIUQAMSKAPR-UHFFFAOYSA-N
MW446.33 g/mol
LogP5.54
Rot. Bonds5

About [6-chloro-4-(5-chloro-2,4-dimethoxyanilino)quinolin-3-yl]-pyrrolidin-1-ylmethanone

[6-chloro-4-(5-chloro-2,4-dimethoxyanilino)quinolin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 53001764) has the molecular formula C22H21Cl2N3O3 and a molecular weight of 446.33 g/mol. Its IUPAC name is [6-chloro-4-(5-chloro-2,4-dimethoxyanilino)quinolin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-chloro-4-(5-chloro-2,4-dimethoxyanilino)quinolin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID53001764
Molecular FormulaC22H21Cl2N3O3
Molecular Weight446.33 g/mol
Exact Mass445.10
IUPAC Name[6-chloro-4-(5-chloro-2,4-dimethoxyanilino)quinolin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1cc(OC)c(Nc2c(C(=O)N3CCCC3)cnc3ccc(Cl)cc23)cc1Cl
InChIInChI=1S/C22H21Cl2N3O3/c1-29-19-11-20(30-2)18(10-16(19)24)26-21-14-9-13(23)5-6-17(14)25-12-15(21)22(28)27-7-3-4-8-27/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,25,26)
InChIKeyXCJSIUQAMSKAPR-UHFFFAOYSA-N
XLogP5.54
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.33
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-chloro-4-(5-chloro-2,4-dimethoxyanilino)quinolin-3-yl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-chloro-4-(2,4-dimethoxyanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 53335880
[4-(2,4-dichloroanilino)-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53032705
[4-(4-bromoanilino)-6-chloroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53001765
[6-chloro-4-[(3,4-dimethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53333943
[6-chloro-4-[(4-ethylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone
CID 71825088
[6-chloro-4-(3,4-dichloroanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 53052673
[6-chloro-4-[[(1S)-1-phenylethyl]amino]quinolin-3-yl]-piperidin-1-ylmethanone
CID 95795098
[6-chloro-4-[3-(trifluoromethyl)anilino]quinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53032710
azepan-1-yl-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]methanone
CID 109162064
azepan-1-yl-[2-(4-chloro-2,5-dimethoxyanilino)pyrimidin-5-yl]methanone
CID 109264943
[6-chloro-4-(3,5-dimethylphenyl)sulfonylquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 71686414
[6-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-piperidin-1-ylmethanone
CID 71825152

Frequently Asked Questions

What is the IUPAC name of [6-chloro-4-(5-chloro-2,4-dimethoxyanilino)quinolin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-chloro-4-(5-chloro-2,4-dimethoxyanilino)quinolin-3-yl]-pyrrolidin-1-ylmethanone (CID 53001764) is [6-chloro-4-(5-chloro-2,4-dimethoxyanilino)quinolin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-chloro-4-(5-chloro-2,4-dimethoxyanilino)quinolin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-chloro-4-(5-chloro-2,4-dimethoxyanilino)quinolin-3-yl]-pyrrolidin-1-ylmethanone is COc1cc(OC)c(Nc2c(C(=O)N3CCCC3)cnc3ccc(Cl)cc23)cc1Cl.
What is the InChIKey of [6-chloro-4-(5-chloro-2,4-dimethoxyanilino)quinolin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is XCJSIUQAMSKAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O3/c1-29-19-11-20(30-2)18(10-16(19)24)26-21-14-9-13(23)5-6-17(14)25-12-15(21)22(28)27-7-3-4-8-27/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,25,26).
What are the key properties of [6-chloro-4-(5-chloro-2,4-dimethoxyanilino)quinolin-3-yl]-pyrrolidin-1-ylmethanone?
[6-chloro-4-(5-chloro-2,4-dimethoxyanilino)quinolin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 446.33 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-4-(5-chloro-2,4-dimethoxyanilino)quinolin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53001764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).