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

C20H20ClN5O — CID 67094996

IUPACN-(2-aminoethyl)-2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)acetamide
SMILESCc1cc2nc3c4cc(Cl)ccc4n(CC(=O)NCCN)c3nc2cc1C
InChIInChI=1S/C20H20ClN5O/c1-11-7-15-16(8-12(11)2)25-20-19(24-15)14-9-13(21)3-4-17(14)26(20)10-18(27)23-6-5-22/h3-4,7-9H,5-6,10,22H2,1-2H3,(H,23,27)
InChIKeyKPCUDZVCOFANIQ-UHFFFAOYSA-N
MW381.87 g/mol
LogP3.08
Rot. Bonds4

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

N-(2-aminoethyl)-2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)acetamide (PubChem CID 67094996) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)acetamide
PubChem CID67094996
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC NameN-(2-aminoethyl)-2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)acetamide
SMILESCc1cc2nc3c4cc(Cl)ccc4n(CC(=O)NCCN)c3nc2cc1C
InChIInChI=1S/C20H20ClN5O/c1-11-7-15-16(8-12(11)2)25-20-19(24-15)14-9-13(21)3-4-17(14)26(20)10-18(27)23-6-5-22/h3-4,7-9H,5-6,10,22H2,1-2H3,(H,23,27)
InChIKeyKPCUDZVCOFANIQ-UHFFFAOYSA-N
XLogP3.08
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)acetamide
CID 44609048
2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 3088163
2-(2-amino-5-chlorobenzimidazol-1-yl)-N-propylacetamide
CID 43659596
9-chloro-6-nonylindolo[3,2-b]quinoxaline
CID 2045581
9-bromo-6-ethyl-2,3-dimethylindolo[3,2-b]quinoxaline
CID 67910684
N-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 110204340
6-(2-bromoethyl)-9-chloroindolo[3,2-b]quinoxaline
CID 2048757
N-propyl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028516
2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135705574
N-butyl-2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]acetamide
CID 17033158
2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-methoxyethyl)acetamide
CID 42810621
N-(2-aminoethyl)-2-(7-chloroquinolin-2-yl)acetamide
CID 110490287

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)acetamide (CID 67094996) is N-(2-aminoethyl)-2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)acetamide is Cc1cc2nc3c4cc(Cl)ccc4n(CC(=O)NCCN)c3nc2cc1C.
What is the InChIKey of N-(2-aminoethyl)-2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)acetamide?
The InChIKey is KPCUDZVCOFANIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c1-11-7-15-16(8-12(11)2)25-20-19(24-15)14-9-13(21)3-4-17(14)26(20)10-18(27)23-6-5-22/h3-4,7-9H,5-6,10,22H2,1-2H3,(H,23,27).
What are the key properties of N-(2-aminoethyl)-2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)acetamide?
N-(2-aminoethyl)-2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)acetamide has a molecular weight of 381.87 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)acetamide is sourced from PubChem (CID 67094996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).