9-chloro-7-methoxy-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxalin-4-one

C17H13ClN4O2 — CID 171356264

IUPAC9-chloro-7-methoxy-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
SMILESCOc1cc(Cl)c2c(c1)n(Cc1cccnc1)c(=O)c1cncn12
InChIInChI=1S/C17H13ClN4O2/c1-24-12-5-13(18)16-14(6-12)21(9-11-3-2-4-19-7-11)17(23)15-8-20-10-22(15)16/h2-8,10H,9H2,1H3
InChIKeyGDSKAAMFSMUYMJ-UHFFFAOYSA-N
MW340.77 g/mol
LogP2.75
Rot. Bonds3

About 9-chloro-7-methoxy-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxalin-4-one

9-chloro-7-methoxy-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxalin-4-one (PubChem CID 171356264) has the molecular formula C17H13ClN4O2 and a molecular weight of 340.77 g/mol. Its IUPAC name is 9-chloro-7-methoxy-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name9-chloro-7-methoxy-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
PubChem CID171356264
Molecular FormulaC17H13ClN4O2
Molecular Weight340.77 g/mol
Exact Mass340.07
IUPAC Name9-chloro-7-methoxy-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
SMILESCOc1cc(Cl)c2c(c1)n(Cc1cccnc1)c(=O)c1cncn12
InChIInChI=1S/C17H13ClN4O2/c1-24-12-5-13(18)16-14(6-12)21(9-11-3-2-4-19-7-11)17(23)15-8-20-10-22(15)16/h2-8,10H,9H2,1H3
InChIKeyGDSKAAMFSMUYMJ-UHFFFAOYSA-N
XLogP2.75
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-Chloro-8-methoxy-3,4-dimethyl-1-(3-methyl-4-pyridinyl)imidazo[1,5-a]quinoxaline
CID 49821714
6-Chloro-3-(4-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 10690352
(4-(3-chlorophenyl)piperazin-1-yl)(1-(3-methoxyphenyl)-2-p-tolyl-1H-imidazol-4-yl)methanone
CID 44578251
[(3S)-3-[[4-(6-chloro-5-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzoxazin-6-yl]oxy]pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 89646029
9-Chloro-7-methoxy-5-[(4-methyl-3-pyridinyl)methyl]imidazo[1,5-a]quinoxalin-4-one
CID 171350845
8-Methoxy-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 171351551
5-(Pyridin-3-ylmethyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxalin-4-one
CID 171355597
7-Methoxy-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 171356872
(6-Chloroimidazo[1,2-a]pyridin-2-yl)(4-(4-methoxyphenyl)piperazin-1-yl)methanone
CID 15409145
5-[2-Chloro-4-(difluoromethoxy)phenyl]-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one
CID 164562901
1-(3-Methoxyphenyl)-4-{7-methylimidazo[1,2-A]pyridine-2-carbonyl}piperazine
CID 28685547
[4-(4-Methoxyphenyl)piperazino](8-methylimidazo[1,2-A]pyridin-2-YL)methanone
CID 53167067

Frequently Asked Questions

What is the IUPAC name of 9-chloro-7-methoxy-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 9-chloro-7-methoxy-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxalin-4-one (CID 171356264) is 9-chloro-7-methoxy-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 9-chloro-7-methoxy-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 9-chloro-7-methoxy-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxalin-4-one is COc1cc(Cl)c2c(c1)n(Cc1cccnc1)c(=O)c1cncn12.
What is the InChIKey of 9-chloro-7-methoxy-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is GDSKAAMFSMUYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O2/c1-24-12-5-13(18)16-14(6-12)21(9-11-3-2-4-19-7-11)17(23)15-8-20-10-22(15)16/h2-8,10H,9H2,1H3.
What are the key properties of 9-chloro-7-methoxy-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
9-chloro-7-methoxy-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 340.77 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-7-methoxy-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 171356264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).