6-(cyclopropylmethoxy)-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline

C23H22FN3O — CID 42630439

IUPAC6-(cyclopropylmethoxy)-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline
SMILESCc1ccccc1-c1nc(C)c2c(C)nc3c(OCC4CC4)cc(F)cc3n12
InChIInChI=1S/C23H22FN3O/c1-13-6-4-5-7-18(13)23-26-15(3)22-14(2)25-21-19(27(22)23)10-17(24)11-20(21)28-12-16-8-9-16/h4-7,10-11,16H,8-9,12H2,1-3H3
InChIKeyAWXHWRQAQZWKQX-UHFFFAOYSA-N
MW375.45 g/mol
LogP5.40
Rot. Bonds4

About 6-(cyclopropylmethoxy)-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline

6-(cyclopropylmethoxy)-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline (PubChem CID 42630439) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline
PubChem CID42630439
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name6-(cyclopropylmethoxy)-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline
SMILESCc1ccccc1-c1nc(C)c2c(C)nc3c(OCC4CC4)cc(F)cc3n12
InChIInChI=1S/C23H22FN3O/c1-13-6-4-5-7-18(13)23-26-15(3)22-14(2)25-21-19(27(22)23)10-17(24)11-20(21)28-12-16-8-9-16/h4-7,10-11,16H,8-9,12H2,1-3H3
InChIKeyAWXHWRQAQZWKQX-UHFFFAOYSA-N
XLogP5.40
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.45
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-Fluoro-6-Methoxy-3,4-Dimethyl-1-(3-Methylpyridin-4-Yl)imidazo[1,5-A]quinoxaline
CID 42630191
2-(2,6-Difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-methoxy-benzimidazole
CID 492672
8-Fluoro-6-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline
CID 42630192
8-Fluoro-6-methoxy-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline
CID 42630193
8-Fluoro-6-methoxy-3,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[1,5-a]quinoxaline
CID 42630315
2-({[1-Phenyl-2-(Propan-2-Yl)-1h-Benzimidazol-6-Yl]oxy}methyl)quinoline
CID 72193890
3,4-Dimethyl-1-Propyl-7-(Quinolin-2-Ylmethoxy)imidazo[1,5-A]quinoxaline
CID 57732460
1-(3-{1-[2-(4-Iodo-phenyl)-ethyl]-piperidin-4-yl}-propyl)-2-phenoxymethyl-4-(3-piperidin-1-yl-propoxy)-1H-benzoimidazole
CID 9987422
2-Phenoxymethyl-1-{3-[1-((Z)-3-phenyl-allyl)-piperidin-4-yl]-propyl}-4-(3-piperidin-1-yl-propoxy)-1H-benzoimidazole
CID 44372422
2-Phenoxymethyl-1-{3-[1-(3-phenyl-propyl)-piperidin-4-yl]-propyl}-4-(3-piperidin-1-yl-propoxy)-1H-benzoimidazole
CID 44372691
1-[3-(1-Phenethyl-piperidin-4-yl)-propyl]-2-phenoxymethyl-4-(3-piperidin-1-yl-propoxy)-1H-benzoimidazole
CID 44372692
1-{3-[1-(2-Cyclohexyl-ethyl)-piperidin-4-yl]-propyl}-2-phenoxymethyl-4-(3-piperidin-1-yl-propoxy)-1H-benzoimidazole
CID 44372776

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline?
The IUPAC name of 6-(cyclopropylmethoxy)-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline (CID 42630439) is 6-(cyclopropylmethoxy)-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline.
What is the SMILES notation for 6-(cyclopropylmethoxy)-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline?
The canonical SMILES for 6-(cyclopropylmethoxy)-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline is Cc1ccccc1-c1nc(C)c2c(C)nc3c(OCC4CC4)cc(F)cc3n12.
What is the InChIKey of 6-(cyclopropylmethoxy)-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline?
The InChIKey is AWXHWRQAQZWKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O/c1-13-6-4-5-7-18(13)23-26-15(3)22-14(2)25-21-19(27(22)23)10-17(24)11-20(21)28-12-16-8-9-16/h4-7,10-11,16H,8-9,12H2,1-3H3.
What are the key properties of 6-(cyclopropylmethoxy)-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline?
6-(cyclopropylmethoxy)-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline has a molecular weight of 375.45 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline is sourced from PubChem (CID 42630439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).