6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]-N-methylanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile

C29H29N5O4 — CID 134442358

IUPAC6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]-N-methylanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
SMILESCOc1ccc(COc2ccc(N(C)c3ccc4ncc(N5CCOCC5)nc4c3C#N)cc2OC)cc1
InChIInChI=1S/C29H29N5O4/c1-33(21-6-11-26(27(16-21)36-3)38-19-20-4-7-22(35-2)8-5-20)25-10-9-24-29(23(25)17-30)32-28(18-31-24)34-12-14-37-15-13-34/h4-11,16,18H,12-15,19H2,1-3H3
InChIKeyHNWJGFPBQATYJG-UHFFFAOYSA-N
MW511.58 g/mol
LogP4.70
Rot. Bonds8

About 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]-N-methylanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile

6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]-N-methylanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile (PubChem CID 134442358) has the molecular formula C29H29N5O4 and a molecular weight of 511.58 g/mol. Its IUPAC name is 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]-N-methylanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile.

Molecular Properties

Compound Name6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]-N-methylanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
PubChem CID134442358
Molecular FormulaC29H29N5O4
Molecular Weight511.58 g/mol
Exact Mass511.22
IUPAC Name6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]-N-methylanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
SMILESCOc1ccc(COc2ccc(N(C)c3ccc4ncc(N5CCOCC5)nc4c3C#N)cc2OC)cc1
InChIInChI=1S/C29H29N5O4/c1-33(21-6-11-26(27(16-21)36-3)38-19-20-4-7-22(35-2)8-5-20)25-10-9-24-29(23(25)17-30)32-28(18-31-24)34-12-14-37-15-13-34/h4-11,16,18H,12-15,19H2,1-3H3
InChIKeyHNWJGFPBQATYJG-UHFFFAOYSA-N
XLogP4.70
TPSA92.97 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.58
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

CID 11955614
CID 11955614
CID 134442338
CID 134442338
CID 5330124
CID 5330124
CID 11704101
CID 11704101
CID 141726506
CID 141726506
CID 141726478
CID 141726478
CID 141726484
CID 141726484
CID 141726495
CID 141726495
CID 141726505
CID 141726505
CID 141726523
CID 141726523
CID 141726540
CID 141726540
CID 57524088
CID 57524088

Frequently Asked Questions

What is the IUPAC name of 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]-N-methylanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
The IUPAC name of 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]-N-methylanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile (CID 134442358) is 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]-N-methylanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile.
What is the SMILES notation for 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]-N-methylanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
The canonical SMILES for 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]-N-methylanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile is COc1ccc(COc2ccc(N(C)c3ccc4ncc(N5CCOCC5)nc4c3C#N)cc2OC)cc1.
What is the InChIKey of 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]-N-methylanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
The InChIKey is HNWJGFPBQATYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O4/c1-33(21-6-11-26(27(16-21)36-3)38-19-20-4-7-22(35-2)8-5-20)25-10-9-24-29(23(25)17-30)32-28(18-31-24)34-12-14-37-15-13-34/h4-11,16,18H,12-15,19H2,1-3H3.
What are the key properties of 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]-N-methylanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]-N-methylanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile has a molecular weight of 511.58 g/mol, XLogP of 4.70, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]-N-methylanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile is sourced from PubChem (CID 134442358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).