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

C27H25N5O4 — CID 163767095

IUPAC6-[4-[(4-hydroxyphenyl)methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
SMILESCOc1cc(Nc2ccc3ncc(N4CCOCC4)nc3c2C#N)ccc1OCc1ccc(O)cc1
InChIInChI=1S/C27H25N5O4/c1-34-25-14-19(4-9-24(25)36-17-18-2-5-20(33)6-3-18)30-22-7-8-23-27(21(22)15-28)31-26(16-29-23)32-10-12-35-13-11-32/h2-9,14,16,30,33H,10-13,17H2,1H3
InChIKeyMDGMUMACBORWRV-UHFFFAOYSA-N
MW483.53 g/mol
LogP4.37
Rot. Bonds7

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

6-[4-[(4-hydroxyphenyl)methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile (PubChem CID 163767095) has the molecular formula C27H25N5O4 and a molecular weight of 483.53 g/mol. Its IUPAC name is 6-[4-[(4-hydroxyphenyl)methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile.

Molecular Properties

Compound Name6-[4-[(4-hydroxyphenyl)methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
PubChem CID163767095
Molecular FormulaC27H25N5O4
Molecular Weight483.53 g/mol
Exact Mass483.19
IUPAC Name6-[4-[(4-hydroxyphenyl)methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
SMILESCOc1cc(Nc2ccc3ncc(N4CCOCC4)nc3c2C#N)ccc1OCc1ccc(O)cc1
InChIInChI=1S/C27H25N5O4/c1-34-25-14-19(4-9-24(25)36-17-18-2-5-20(33)6-3-18)30-22-7-8-23-27(21(22)15-28)31-26(16-29-23)32-10-12-35-13-11-32/h2-9,14,16,30,33H,10-13,17H2,1H3
InChIKeyMDGMUMACBORWRV-UHFFFAOYSA-N
XLogP4.37
TPSA112.76 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-hydroxyphenyl)methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
The IUPAC name of 6-[4-[(4-hydroxyphenyl)methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile (CID 163767095) is 6-[4-[(4-hydroxyphenyl)methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile.
What is the SMILES notation for 6-[4-[(4-hydroxyphenyl)methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
The canonical SMILES for 6-[4-[(4-hydroxyphenyl)methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile is COc1cc(Nc2ccc3ncc(N4CCOCC4)nc3c2C#N)ccc1OCc1ccc(O)cc1.
What is the InChIKey of 6-[4-[(4-hydroxyphenyl)methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
The InChIKey is MDGMUMACBORWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O4/c1-34-25-14-19(4-9-24(25)36-17-18-2-5-20(33)6-3-18)30-22-7-8-23-27(21(22)15-28)31-26(16-29-23)32-10-12-35-13-11-32/h2-9,14,16,30,33H,10-13,17H2,1H3.
What are the key properties of 6-[4-[(4-hydroxyphenyl)methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
6-[4-[(4-hydroxyphenyl)methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile has a molecular weight of 483.53 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-hydroxyphenyl)methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile is sourced from PubChem (CID 163767095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).