[3-(3-methylbutoxy)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone

C23H26N2O5 — CID 141466056

IUPAC[3-(3-methylbutoxy)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2nc3ccccc3nc2OCCC(C)C)cc(OC)c1OC
InChIInChI=1S/C23H26N2O5/c1-14(2)10-11-30-23-20(24-16-8-6-7-9-17(16)25-23)21(26)15-12-18(27-3)22(29-5)19(13-15)28-4/h6-9,12-14H,10-11H2,1-5H3
InChIKeyIYFVJLJQQDWICF-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.31
Rot. Bonds9

About [3-(3-methylbutoxy)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone

[3-(3-methylbutoxy)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 141466056) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is [3-(3-methylbutoxy)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(3-methylbutoxy)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID141466056
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name[3-(3-methylbutoxy)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2nc3ccccc3nc2OCCC(C)C)cc(OC)c1OC
InChIInChI=1S/C23H26N2O5/c1-14(2)10-11-30-23-20(24-16-8-6-7-9-17(16)25-23)21(26)15-12-18(27-3)22(29-5)19(13-15)28-4/h6-9,12-14H,10-11H2,1-5H3
InChIKeyIYFVJLJQQDWICF-UHFFFAOYSA-N
XLogP4.31
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-propan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 141466071
(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
2-(3-methylbutoxy)-N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]benzamide
CID 4944763
3-methylbutyl (2S)-2-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 40551436
3-(3,4,5-trimethoxybenzoyl)pyridine-2-carboxylic acid
CID 139864316
N'-[3-bromo-4-(3-methylbutoxy)benzoyl]-3,4,5-trimethoxybenzohydrazide
CID 17339516
N-[3-(3-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide
CID 2303591
3,4,5-trimethoxy-N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]benzamide
CID 4928186
3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(2-methylphenyl)benzamide
CID 27167034
4-(3-methylbutoxy)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 4927366

Frequently Asked Questions

What is the IUPAC name of [3-(3-methylbutoxy)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [3-(3-methylbutoxy)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 141466056) is [3-(3-methylbutoxy)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [3-(3-methylbutoxy)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [3-(3-methylbutoxy)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2nc3ccccc3nc2OCCC(C)C)cc(OC)c1OC.
What is the InChIKey of [3-(3-methylbutoxy)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is IYFVJLJQQDWICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-14(2)10-11-30-23-20(24-16-8-6-7-9-17(16)25-23)21(26)15-12-18(27-3)22(29-5)19(13-15)28-4/h6-9,12-14H,10-11H2,1-5H3.
What are the key properties of [3-(3-methylbutoxy)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
[3-(3-methylbutoxy)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 410.47 g/mol, XLogP of 4.31, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylbutoxy)quinoxalin-2-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 141466056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).