2-[4-[(8-chloroimidazo[1,5-a]quinoxalin-4-yl)amino]phenyl]acetamide

C18H14ClN5O — CID 166372713

IUPAC2-[4-[(8-chloroimidazo[1,5-a]quinoxalin-4-yl)amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(Nc2nc3ccc(Cl)cc3n3cncc23)cc1
InChIInChI=1S/C18H14ClN5O/c19-12-3-6-14-15(8-12)24-10-21-9-16(24)18(23-14)22-13-4-1-11(2-5-13)7-17(20)25/h1-6,8-10H,7H2,(H2,20,25)(H,22,23)
InChIKeyCDZUHBCGMQFMRQ-UHFFFAOYSA-N
MW351.80 g/mol
LogP3.31
Rot. Bonds4

About 2-[4-[(8-chloroimidazo[1,5-a]quinoxalin-4-yl)amino]phenyl]acetamide

2-[4-[(8-chloroimidazo[1,5-a]quinoxalin-4-yl)amino]phenyl]acetamide (PubChem CID 166372713) has the molecular formula C18H14ClN5O and a molecular weight of 351.80 g/mol. Its IUPAC name is 2-[4-[(8-chloroimidazo[1,5-a]quinoxalin-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(8-chloroimidazo[1,5-a]quinoxalin-4-yl)amino]phenyl]acetamide
PubChem CID166372713
Molecular FormulaC18H14ClN5O
Molecular Weight351.80 g/mol
Exact Mass351.09
IUPAC Name2-[4-[(8-chloroimidazo[1,5-a]quinoxalin-4-yl)amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(Nc2nc3ccc(Cl)cc3n3cncc23)cc1
InChIInChI=1S/C18H14ClN5O/c19-12-3-6-14-15(8-12)24-10-21-9-16(24)18(23-14)22-13-4-1-11(2-5-13)7-17(20)25/h1-6,8-10H,7H2,(H2,20,25)(H,22,23)
InChIKeyCDZUHBCGMQFMRQ-UHFFFAOYSA-N
XLogP3.31
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-chloro-N-[2-(4-chlorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22431418
2-[4-[(2,5-dichlorophenyl)methylamino]phenyl]acetamide
CID 103844946
2-[4-[[2-(3-chlorophenyl)-4-pyridinyl]amino]phenyl]acetamide;hydrochloride
CID 90111641
2-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]acetamide
CID 66160120
2-[4-[(3,5-dichlorophenyl)methylamino]phenyl]acetamide
CID 60790039
2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]acetamide
CID 115470747
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 31859234
5-N-imidazo[1,5-a]quinoxalin-4-yl-2-N-methylpyridine-2,5-diamine
CID 166372711
N-[4-(2-amino-2-oxoethyl)phenyl]-6-chloro-1H-indole-2-carboxamide
CID 31862421
(E)-4-(dimethylamino)-N-[4-(5-fluoro-2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide
CID 57392910
2-[3-[(5-chloropyrimidin-2-yl)amino]-4-methylphenyl]acetamide
CID 175913254
N-[4-(2-amino-2-oxoethyl)phenyl]-6-chloropyridine-2-carboxamide
CID 62233473

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(8-chloroimidazo[1,5-a]quinoxalin-4-yl)amino]phenyl]acetamide?
The IUPAC name of 2-[4-[(8-chloroimidazo[1,5-a]quinoxalin-4-yl)amino]phenyl]acetamide (CID 166372713) is 2-[4-[(8-chloroimidazo[1,5-a]quinoxalin-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[(8-chloroimidazo[1,5-a]quinoxalin-4-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[(8-chloroimidazo[1,5-a]quinoxalin-4-yl)amino]phenyl]acetamide is NC(=O)Cc1ccc(Nc2nc3ccc(Cl)cc3n3cncc23)cc1.
What is the InChIKey of 2-[4-[(8-chloroimidazo[1,5-a]quinoxalin-4-yl)amino]phenyl]acetamide?
The InChIKey is CDZUHBCGMQFMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O/c19-12-3-6-14-15(8-12)24-10-21-9-16(24)18(23-14)22-13-4-1-11(2-5-13)7-17(20)25/h1-6,8-10H,7H2,(H2,20,25)(H,22,23).
What are the key properties of 2-[4-[(8-chloroimidazo[1,5-a]quinoxalin-4-yl)amino]phenyl]acetamide?
2-[4-[(8-chloroimidazo[1,5-a]quinoxalin-4-yl)amino]phenyl]acetamide has a molecular weight of 351.80 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(8-chloroimidazo[1,5-a]quinoxalin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 166372713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).