(3-phenylmethoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone

C25H22N2O5 — CID 141466050

IUPAC(3-phenylmethoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2nc3ccccc3nc2OCc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C25H22N2O5/c1-29-20-13-17(14-21(30-2)24(20)31-3)23(28)22-25(32-15-16-9-5-4-6-10-16)27-19-12-8-7-11-18(19)26-22/h4-14H,15H2,1-3H3
InChIKeyMNTODCHUDMBQKM-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.47
Rot. Bonds8

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

(3-phenylmethoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 141466050) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is (3-phenylmethoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-phenylmethoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID141466050
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Name(3-phenylmethoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2nc3ccccc3nc2OCc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C25H22N2O5/c1-29-20-13-17(14-21(30-2)24(20)31-3)23(28)22-25(32-15-16-9-5-4-6-10-16)27-19-12-8-7-11-18(19)26-22/h4-14H,15H2,1-3H3
InChIKeyMNTODCHUDMBQKM-UHFFFAOYSA-N
XLogP4.47
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-phenylmethoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (3-phenylmethoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 141466050) is (3-phenylmethoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (3-phenylmethoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (3-phenylmethoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2nc3ccccc3nc2OCc2ccccc2)cc(OC)c1OC.
What is the InChIKey of (3-phenylmethoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is MNTODCHUDMBQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5/c1-29-20-13-17(14-21(30-2)24(20)31-3)23(28)22-25(32-15-16-9-5-4-6-10-16)27-19-12-8-7-11-18(19)26-22/h4-14H,15H2,1-3H3.
What are the key properties of (3-phenylmethoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
(3-phenylmethoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 430.46 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylmethoxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 141466050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).