[2,3-bis(4-methoxyphenyl)quinoxalin-6-yl]-phenylmethanone

C29H22N2O3 — CID 3475562

IUPAC[2,3-bis(4-methoxyphenyl)quinoxalin-6-yl]-phenylmethanone
SMILESCOc1ccc(-c2nc3ccc(C(=O)c4ccccc4)cc3nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H22N2O3/c1-33-23-13-8-19(9-14-23)27-28(20-10-15-24(34-2)16-11-20)31-26-18-22(12-17-25(26)30-27)29(32)21-6-4-3-5-7-21/h3-18H,1-2H3
InChIKeyJOVXKSQAVLIDNA-UHFFFAOYSA-N
MW446.51 g/mol
LogP6.21
Rot. Bonds6

About [2,3-bis(4-methoxyphenyl)quinoxalin-6-yl]-phenylmethanone

[2,3-bis(4-methoxyphenyl)quinoxalin-6-yl]-phenylmethanone (PubChem CID 3475562) has the molecular formula C29H22N2O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is [2,3-bis(4-methoxyphenyl)quinoxalin-6-yl]-phenylmethanone.

Molecular Properties

Compound Name[2,3-bis(4-methoxyphenyl)quinoxalin-6-yl]-phenylmethanone
PubChem CID3475562
Molecular FormulaC29H22N2O3
Molecular Weight446.51 g/mol
Exact Mass446.16
IUPAC Name[2,3-bis(4-methoxyphenyl)quinoxalin-6-yl]-phenylmethanone
SMILESCOc1ccc(-c2nc3ccc(C(=O)c4ccccc4)cc3nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H22N2O3/c1-33-23-13-8-19(9-14-23)27-28(20-10-15-24(34-2)16-11-20)31-26-18-22(12-17-25(26)30-27)29(32)21-6-4-3-5-7-21/h3-18H,1-2H3
InChIKeyJOVXKSQAVLIDNA-UHFFFAOYSA-N
XLogP6.21
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2,3-bis(4-methoxyphenyl)quinoxalin-6-yl]-phenylmethanone?
The IUPAC name of [2,3-bis(4-methoxyphenyl)quinoxalin-6-yl]-phenylmethanone (CID 3475562) is [2,3-bis(4-methoxyphenyl)quinoxalin-6-yl]-phenylmethanone.
What is the SMILES notation for [2,3-bis(4-methoxyphenyl)quinoxalin-6-yl]-phenylmethanone?
The canonical SMILES for [2,3-bis(4-methoxyphenyl)quinoxalin-6-yl]-phenylmethanone is COc1ccc(-c2nc3ccc(C(=O)c4ccccc4)cc3nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of [2,3-bis(4-methoxyphenyl)quinoxalin-6-yl]-phenylmethanone?
The InChIKey is JOVXKSQAVLIDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O3/c1-33-23-13-8-19(9-14-23)27-28(20-10-15-24(34-2)16-11-20)31-26-18-22(12-17-25(26)30-27)29(32)21-6-4-3-5-7-21/h3-18H,1-2H3.
What are the key properties of [2,3-bis(4-methoxyphenyl)quinoxalin-6-yl]-phenylmethanone?
[2,3-bis(4-methoxyphenyl)quinoxalin-6-yl]-phenylmethanone has a molecular weight of 446.51 g/mol, XLogP of 6.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(4-methoxyphenyl)quinoxalin-6-yl]-phenylmethanone is sourced from PubChem (CID 3475562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).