(3-propan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone

C21H22N2O5 — CID 141466071

IUPAC(3-propan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2nc3ccccc3nc2OC(C)C)cc(OC)c1OC
InChIInChI=1S/C21H22N2O5/c1-12(2)28-21-18(22-14-8-6-7-9-15(14)23-21)19(24)13-10-16(25-3)20(27-5)17(11-13)26-4/h6-12H,1-5H3
InChIKeyOKSKWMYIYMGBAJ-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.67
Rot. Bonds7

About (3-propan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone

(3-propan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 141466071) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is (3-propan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-propan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID141466071
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name(3-propan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2nc3ccccc3nc2OC(C)C)cc(OC)c1OC
InChIInChI=1S/C21H22N2O5/c1-12(2)28-21-18(22-14-8-6-7-9-15(14)23-21)19(24)13-10-16(25-3)20(27-5)17(11-13)26-4/h6-12H,1-5H3
InChIKeyOKSKWMYIYMGBAJ-UHFFFAOYSA-N
XLogP3.67
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(3-methylbutoxy)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 141466056
(3-prop-2-ynoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 141466061
isoquinolin-1-yl-(3,4,5-trimethoxyphenyl)methanone
CID 102334723
1-ethyl-3-(3,4,5-trimethoxybenzoyl)quinoxalin-2-one
CID 162660811
3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 673819
[2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 141409878
6,7-dimethyl-N-(2-methylphenyl)-3-propan-2-yloxyquinoxaline-2-carboxamide
CID 50779894
[3-(1-hydroxyethyl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
CID 174357857
propan-2-yl 3-methoxyquinoline-2-carboxylate
CID 133055846
3,4,5-trimethoxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154687
(3-phenyl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 127036065
[2-(3-amino-4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 141409884

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (3-propan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 141466071) is (3-propan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (3-propan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (3-propan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2nc3ccccc3nc2OC(C)C)cc(OC)c1OC.
What is the InChIKey of (3-propan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is OKSKWMYIYMGBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-12(2)28-21-18(22-14-8-6-7-9-15(14)23-21)19(24)13-10-16(25-3)20(27-5)17(11-13)26-4/h6-12H,1-5H3.
What are the key properties of (3-propan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
(3-propan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 382.42 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 141466071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).