6-chloro-3-(4-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one

C20H18ClN3O2 — CID 10690352

IUPAC6-chloro-3-(4-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
SMILESCOc1ccc(-c2ncn3c2c(=O)n(C(C)C)c2c(Cl)cccc23)cc1
InChIInChI=1S/C20H18ClN3O2/c1-12(2)24-18-15(21)5-4-6-16(18)23-11-22-17(19(23)20(24)25)13-7-9-14(26-3)10-8-13/h4-12H,1-3H3
InChIKeyMTPIJSIMBVBZNN-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.56
Rot. Bonds3

About 6-chloro-3-(4-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one

6-chloro-3-(4-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one (PubChem CID 10690352) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 6-chloro-3-(4-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name6-chloro-3-(4-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
PubChem CID10690352
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name6-chloro-3-(4-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
SMILESCOc1ccc(-c2ncn3c2c(=O)n(C(C)C)c2c(Cl)cccc23)cc1
InChIInChI=1S/C20H18ClN3O2/c1-12(2)24-18-15(21)5-4-6-16(18)23-11-22-17(19(23)20(24)25)13-7-9-14(26-3)10-8-13/h4-12H,1-3H3
InChIKeyMTPIJSIMBVBZNN-UHFFFAOYSA-N
XLogP4.56
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6,8-Dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl)-N-methyl-N-phenylacetamide
CID 24945828
2-[6-chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 168289645
3-(4-Methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 9884065
3-(3-Methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 10568643
7-Fluoro-3-(4-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 10569929
3-(4-Methoxyphenyl)-6-methyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 10593763
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-((4-methoxyphenyl)methyl)-5-phenyl-
CID 3071983
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-8-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
CID 71451063
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-7-methoxy-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
CID 71456399
1-[3-(4-Chlorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-A]azepine-1-carbonyl]-4-(4-methoxyphenyl)piperazine
CID 16021691
1-[3-(4-Chlorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-A]azepine-1-carbonyl]-4-(3-methoxyphenyl)piperazine
CID 16021693
5-Butyl-2-(4-methoxyphenyl)-1-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
CID 10430948

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 6-chloro-3-(4-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one (CID 10690352) is 6-chloro-3-(4-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 6-chloro-3-(4-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 6-chloro-3-(4-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one is COc1ccc(-c2ncn3c2c(=O)n(C(C)C)c2c(Cl)cccc23)cc1.
What is the InChIKey of 6-chloro-3-(4-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
The InChIKey is MTPIJSIMBVBZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-12(2)24-18-15(21)5-4-6-16(18)23-11-22-17(19(23)20(24)25)13-7-9-14(26-3)10-8-13/h4-12H,1-3H3.
What are the key properties of 6-chloro-3-(4-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one?
6-chloro-3-(4-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one has a molecular weight of 367.84 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-methoxyphenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 10690352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).