6-[4-[(3,4-dimethoxyphenyl)methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile

C29H29N5O5 — CID 134442204

IUPAC6-[4-[(3,4-dimethoxyphenyl)methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
SMILESCOc1ccc(COc2ccc(Nc3ccc4ncc(N5CCOCC5)nc4c3C#N)cc2OC)cc1OC
InChIInChI=1S/C29H29N5O5/c1-35-24-8-4-19(14-26(24)36-2)18-39-25-9-5-20(15-27(25)37-3)32-22-6-7-23-29(21(22)16-30)33-28(17-31-23)34-10-12-38-13-11-34/h4-9,14-15,17,32H,10-13,18H2,1-3H3
InChIKeyHFFPDYLCNYHHGC-UHFFFAOYSA-N
MW527.58 g/mol
LogP4.69
Rot. Bonds9

About 6-[4-[(3,4-dimethoxyphenyl)methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile

6-[4-[(3,4-dimethoxyphenyl)methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile (PubChem CID 134442204) has the molecular formula C29H29N5O5 and a molecular weight of 527.58 g/mol. Its IUPAC name is 6-[4-[(3,4-dimethoxyphenyl)methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile.

Molecular Properties

Compound Name6-[4-[(3,4-dimethoxyphenyl)methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
PubChem CID134442204
Molecular FormulaC29H29N5O5
Molecular Weight527.58 g/mol
Exact Mass527.22
IUPAC Name6-[4-[(3,4-dimethoxyphenyl)methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
SMILESCOc1ccc(COc2ccc(Nc3ccc4ncc(N5CCOCC5)nc4c3C#N)cc2OC)cc1OC
InChIInChI=1S/C29H29N5O5/c1-35-24-8-4-19(14-26(24)36-2)18-39-25-9-5-20(15-27(25)37-3)32-22-6-7-23-29(21(22)16-30)33-28(17-31-23)34-10-12-38-13-11-34/h4-9,14-15,17,32H,10-13,18H2,1-3H3
InChIKeyHFFPDYLCNYHHGC-UHFFFAOYSA-N
XLogP4.69
TPSA110.99 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.58
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3,4-dimethoxyphenyl)methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
The IUPAC name of 6-[4-[(3,4-dimethoxyphenyl)methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile (CID 134442204) is 6-[4-[(3,4-dimethoxyphenyl)methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile.
What is the SMILES notation for 6-[4-[(3,4-dimethoxyphenyl)methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
The canonical SMILES for 6-[4-[(3,4-dimethoxyphenyl)methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile is COc1ccc(COc2ccc(Nc3ccc4ncc(N5CCOCC5)nc4c3C#N)cc2OC)cc1OC.
What is the InChIKey of 6-[4-[(3,4-dimethoxyphenyl)methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
The InChIKey is HFFPDYLCNYHHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O5/c1-35-24-8-4-19(14-26(24)36-2)18-39-25-9-5-20(15-27(25)37-3)32-22-6-7-23-29(21(22)16-30)33-28(17-31-23)34-10-12-38-13-11-34/h4-9,14-15,17,32H,10-13,18H2,1-3H3.
What are the key properties of 6-[4-[(3,4-dimethoxyphenyl)methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
6-[4-[(3,4-dimethoxyphenyl)methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile has a molecular weight of 527.58 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3,4-dimethoxyphenyl)methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile is sourced from PubChem (CID 134442204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).