2-chloro-N-[4-(7-methoxy-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butyl]benzamide

C23H24ClN5O2 — CID 146314852

IUPAC2-chloro-N-[4-(7-methoxy-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butyl]benzamide
SMILESCOc1cc2nc(CCCCNC(=O)c3ccccc3Cl)c3nnc(C)n3c2cc1C
InChIInChI=1S/C23H24ClN5O2/c1-14-12-20-19(13-21(14)31-3)26-18(22-28-27-15(2)29(20)22)10-6-7-11-25-23(30)16-8-4-5-9-17(16)24/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,25,30)
InChIKeyUNBVRQUDJZUNMS-UHFFFAOYSA-N
MW437.93 g/mol
LogP4.31
Rot. Bonds7

About 2-chloro-N-[4-(7-methoxy-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butyl]benzamide

2-chloro-N-[4-(7-methoxy-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butyl]benzamide (PubChem CID 146314852) has the molecular formula C23H24ClN5O2 and a molecular weight of 437.93 g/mol. Its IUPAC name is 2-chloro-N-[4-(7-methoxy-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(7-methoxy-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butyl]benzamide
PubChem CID146314852
Molecular FormulaC23H24ClN5O2
Molecular Weight437.93 g/mol
Exact Mass437.16
IUPAC Name2-chloro-N-[4-(7-methoxy-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butyl]benzamide
SMILESCOc1cc2nc(CCCCNC(=O)c3ccccc3Cl)c3nnc(C)n3c2cc1C
InChIInChI=1S/C23H24ClN5O2/c1-14-12-20-19(13-21(14)31-3)26-18(22-28-27-15(2)29(20)22)10-6-7-11-25-23(30)16-8-4-5-9-17(16)24/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,25,30)
InChIKeyUNBVRQUDJZUNMS-UHFFFAOYSA-N
XLogP4.31
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-chloro-N-[4-(7-methoxy-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butyl]benzamide with MolForge

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Related Compounds

2-chloro-N-[4-[(7,8-dimethoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]pyridine-3-carboxamide
CID 146342055
tert-butyl N-[4-[(7-methoxy-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]carbamate
CID 135276476
2-chloro-N-[4-[[1-methyl-7-(2-morpholin-4-ylethoxy)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]amino]butyl]benzamide
CID 142746120
ethane;2-ethyl-N-[5-[7-(2-methoxyethoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]pentyl]butanamide;molecular hydrogen
CID 142406287
N-[4-[(7,8-dimethoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]-2-thiophen-2-ylacetamide
CID 142746015
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
CID 40718510
(3S)-3-hydroxy-9-[(7-methoxy-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]-2-methylnonan-4-one;sulfane
CID 158111135
(2S)-N-[4-[(7,8-dimethoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]-2-hydroxy-3-methylbutanamide
CID 135276126
2-chloro-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16982749
1-(4-chlorophenyl)-6-[(7,8-dimethoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]hexan-1-one
CID 158779025
propan-2-yl N-[5-[(7,8-dimethoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]pentyl]carbamate
CID 142746057
2-chloro-N-[2-[1-[2-(2-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030763

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(7-methoxy-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butyl]benzamide?
The IUPAC name of 2-chloro-N-[4-(7-methoxy-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butyl]benzamide (CID 146314852) is 2-chloro-N-[4-(7-methoxy-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(7-methoxy-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(7-methoxy-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butyl]benzamide is COc1cc2nc(CCCCNC(=O)c3ccccc3Cl)c3nnc(C)n3c2cc1C.
What is the InChIKey of 2-chloro-N-[4-(7-methoxy-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butyl]benzamide?
The InChIKey is UNBVRQUDJZUNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O2/c1-14-12-20-19(13-21(14)31-3)26-18(22-28-27-15(2)29(20)22)10-6-7-11-25-23(30)16-8-4-5-9-17(16)24/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,25,30).
What are the key properties of 2-chloro-N-[4-(7-methoxy-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butyl]benzamide?
2-chloro-N-[4-(7-methoxy-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butyl]benzamide has a molecular weight of 437.93 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(7-methoxy-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butyl]benzamide is sourced from PubChem (CID 146314852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).