6-[3-methoxy-4-[(6-methyl-3-pyridinyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile

C27H26N6O3 — CID 134442338

IUPAC6-[3-methoxy-4-[(6-methyl-3-pyridinyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
SMILESCOc1cc(Nc2ccc3ncc(N4CCOCC4)nc3c2C#N)ccc1OCc1ccc(C)nc1
InChIInChI=1S/C27H26N6O3/c1-18-3-4-19(15-29-18)17-36-24-8-5-20(13-25(24)34-2)31-22-6-7-23-27(21(22)14-28)32-26(16-30-23)33-9-11-35-12-10-33/h3-8,13,15-16,31H,9-12,17H2,1-2H3
InChIKeyUGKFKFGVNJJPOL-UHFFFAOYSA-N
MW482.54 g/mol
LogP4.37
Rot. Bonds7

About 6-[3-methoxy-4-[(6-methyl-3-pyridinyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile

6-[3-methoxy-4-[(6-methyl-3-pyridinyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile (PubChem CID 134442338) has the molecular formula C27H26N6O3 and a molecular weight of 482.54 g/mol. Its IUPAC name is 6-[3-methoxy-4-[(6-methyl-3-pyridinyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile.

Molecular Properties

Compound Name6-[3-methoxy-4-[(6-methyl-3-pyridinyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
PubChem CID134442338
Molecular FormulaC27H26N6O3
Molecular Weight482.54 g/mol
Exact Mass482.21
IUPAC Name6-[3-methoxy-4-[(6-methyl-3-pyridinyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
SMILESCOc1cc(Nc2ccc3ncc(N4CCOCC4)nc3c2C#N)ccc1OCc1ccc(C)nc1
InChIInChI=1S/C27H26N6O3/c1-18-3-4-19(15-29-18)17-36-24-8-5-20(13-25(24)34-2)31-22-6-7-23-27(21(22)14-28)32-26(16-30-23)33-9-11-35-12-10-33/h3-8,13,15-16,31H,9-12,17H2,1-2H3
InChIKeyUGKFKFGVNJJPOL-UHFFFAOYSA-N
XLogP4.37
TPSA105.42 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[3-methoxy-4-[(6-methyl-3-pyridinyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
The IUPAC name of 6-[3-methoxy-4-[(6-methyl-3-pyridinyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile (CID 134442338) is 6-[3-methoxy-4-[(6-methyl-3-pyridinyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile.
What is the SMILES notation for 6-[3-methoxy-4-[(6-methyl-3-pyridinyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
The canonical SMILES for 6-[3-methoxy-4-[(6-methyl-3-pyridinyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile is COc1cc(Nc2ccc3ncc(N4CCOCC4)nc3c2C#N)ccc1OCc1ccc(C)nc1.
What is the InChIKey of 6-[3-methoxy-4-[(6-methyl-3-pyridinyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
The InChIKey is UGKFKFGVNJJPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O3/c1-18-3-4-19(15-29-18)17-36-24-8-5-20(13-25(24)34-2)31-22-6-7-23-27(21(22)14-28)32-26(16-30-23)33-9-11-35-12-10-33/h3-8,13,15-16,31H,9-12,17H2,1-2H3.
What are the key properties of 6-[3-methoxy-4-[(6-methyl-3-pyridinyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
6-[3-methoxy-4-[(6-methyl-3-pyridinyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile has a molecular weight of 482.54 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-methoxy-4-[(6-methyl-3-pyridinyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile is sourced from PubChem (CID 134442338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).