(2-chloro-5-methylphenyl)-[3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]methanone

C21H20Cl2N4O — CID 67043276

IUPAC(2-chloro-5-methylphenyl)-[3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]methanone
SMILESCc1ccc(Cl)c(C(=O)N2CCC(CNc3cnc4cc(Cl)ccc4n3)C2)c1
InChIInChI=1S/C21H20Cl2N4O/c1-13-2-4-17(23)16(8-13)21(28)27-7-6-14(12-27)10-25-20-11-24-19-9-15(22)3-5-18(19)26-20/h2-5,8-9,11,14H,6-7,10,12H2,1H3,(H,25,26)
InChIKeyDECRGSVWNXYXDL-UHFFFAOYSA-N
MW415.32 g/mol
LogP4.82
Rot. Bonds4

About (2-chloro-5-methylphenyl)-[3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]methanone

(2-chloro-5-methylphenyl)-[3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]methanone (PubChem CID 67043276) has the molecular formula C21H20Cl2N4O and a molecular weight of 415.32 g/mol. Its IUPAC name is (2-chloro-5-methylphenyl)-[3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-5-methylphenyl)-[3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]methanone
PubChem CID67043276
Molecular FormulaC21H20Cl2N4O
Molecular Weight415.32 g/mol
Exact Mass414.10
IUPAC Name(2-chloro-5-methylphenyl)-[3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]methanone
SMILESCc1ccc(Cl)c(C(=O)N2CCC(CNc3cnc4cc(Cl)ccc4n3)C2)c1
InChIInChI=1S/C21H20Cl2N4O/c1-13-2-4-17(23)16(8-13)21(28)27-7-6-14(12-27)10-25-20-11-24-19-9-15(22)3-5-18(19)26-20/h2-5,8-9,11,14H,6-7,10,12H2,1H3,(H,25,26)
InChIKeyDECRGSVWNXYXDL-UHFFFAOYSA-N
XLogP4.82
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-chloro-5-methylphenyl)-[3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[5-methyl-2-(trifluoromethyl)phenyl]-[3-[[[7-(trifluoromethyl)quinoxalin-2-yl]amino]methyl]pyrrolidin-1-yl]methanone
CID 143823715
[3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 67043344
(2-chloro-5-methylphenyl)-[(3S)-3-[[(6-fluoro-1,3-benzothiazol-2-yl)amino]methyl]pyrrolidin-1-yl]methanone
CID 44628682
tert-butyl (3S)-3-[[(6-nitroquinoxalin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 97171211
[3-(aminomethyl)pyrrolidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 55030511
6-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]quinoxalin-2-amine
CID 123386788
(2,5-dichlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551581
(2,7-dimethylquinolin-3-yl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124613099
(5-chloro-2-fluorophenyl)-[3-(chloromethyl)pyrrolidin-1-yl]methanone
CID 63396090
[(3R)-3-[[(7-fluoro-1,3-benzoxazol-2-yl)amino]methyl]pyrrolidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 67043285
(2-chloro-5-methylphenyl)-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 155492853
[1-(2,5-dichlorobenzoyl)pyrrolidin-2-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538641

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-methylphenyl)-[3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2-chloro-5-methylphenyl)-[3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]methanone (CID 67043276) is (2-chloro-5-methylphenyl)-[3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-5-methylphenyl)-[3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-chloro-5-methylphenyl)-[3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]methanone is Cc1ccc(Cl)c(C(=O)N2CCC(CNc3cnc4cc(Cl)ccc4n3)C2)c1.
What is the InChIKey of (2-chloro-5-methylphenyl)-[3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]methanone?
The InChIKey is DECRGSVWNXYXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O/c1-13-2-4-17(23)16(8-13)21(28)27-7-6-14(12-27)10-25-20-11-24-19-9-15(22)3-5-18(19)26-20/h2-5,8-9,11,14H,6-7,10,12H2,1H3,(H,25,26).
What are the key properties of (2-chloro-5-methylphenyl)-[3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]methanone?
(2-chloro-5-methylphenyl)-[3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 415.32 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-methylphenyl)-[3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 67043276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).