2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)acetamide

C18H15ClN4O — CID 44609048

IUPAC2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)acetamide
SMILESCc1cc2nc3c4cc(Cl)ccc4n(CC(N)=O)c3nc2cc1C
InChIInChI=1S/C18H15ClN4O/c1-9-5-13-14(6-10(9)2)22-18-17(21-13)12-7-11(19)3-4-15(12)23(18)8-16(20)24/h3-7H,8H2,1-2H3,(H2,20,24)
InChIKeyMLGPGSWRGUQRPX-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.49
Rot. Bonds2

About 2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)acetamide

2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)acetamide (PubChem CID 44609048) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is 2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)acetamide.

Molecular Properties

Compound Name2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)acetamide
PubChem CID44609048
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)acetamide
SMILESCc1cc2nc3c4cc(Cl)ccc4n(CC(N)=O)c3nc2cc1C
InChIInChI=1S/C18H15ClN4O/c1-9-5-13-14(6-10(9)2)22-18-17(21-13)12-7-11(19)3-4-15(12)23(18)8-16(20)24/h3-7H,8H2,1-2H3,(H2,20,24)
InChIKeyMLGPGSWRGUQRPX-UHFFFAOYSA-N
XLogP3.49
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)acetamide?
The IUPAC name of 2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)acetamide (CID 44609048) is 2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)acetamide.
What is the SMILES notation for 2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)acetamide?
The canonical SMILES for 2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)acetamide is Cc1cc2nc3c4cc(Cl)ccc4n(CC(N)=O)c3nc2cc1C.
What is the InChIKey of 2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)acetamide?
The InChIKey is MLGPGSWRGUQRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c1-9-5-13-14(6-10(9)2)22-18-17(21-13)12-7-11(19)3-4-15(12)23(18)8-16(20)24/h3-7H,8H2,1-2H3,(H2,20,24).
What are the key properties of 2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)acetamide?
2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)acetamide has a molecular weight of 338.80 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)acetamide is sourced from PubChem (CID 44609048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).