2-methoxy-3-morpholin-4-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoxaline-6-carboxamide

C24H26N8O3 — CID 138525667

IUPAC2-methoxy-3-morpholin-4-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoxaline-6-carboxamide
SMILESCOc1nc2ccc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2nc1N1CCOCC1
InChIInChI=1S/C24H26N8O3/c1-15(2)32-14-25-30-21(32)18-5-4-6-20(26-18)29-23(33)16-7-8-17-19(13-16)27-22(24(28-17)34-3)31-9-11-35-12-10-31/h4-8,13-15H,9-12H2,1-3H3,(H,26,29,33)
InChIKeyZSFNQHDWWVQGEX-UHFFFAOYSA-N
MW474.53 g/mol
LogP2.96
Rot. Bonds6

About 2-methoxy-3-morpholin-4-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoxaline-6-carboxamide

2-methoxy-3-morpholin-4-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoxaline-6-carboxamide (PubChem CID 138525667) has the molecular formula C24H26N8O3 and a molecular weight of 474.53 g/mol. Its IUPAC name is 2-methoxy-3-morpholin-4-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2-methoxy-3-morpholin-4-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoxaline-6-carboxamide
PubChem CID138525667
Molecular FormulaC24H26N8O3
Molecular Weight474.53 g/mol
Exact Mass474.21
IUPAC Name2-methoxy-3-morpholin-4-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoxaline-6-carboxamide
SMILESCOc1nc2ccc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2nc1N1CCOCC1
InChIInChI=1S/C24H26N8O3/c1-15(2)32-14-25-30-21(32)18-5-4-6-20(26-18)29-23(33)16-7-8-17-19(13-16)27-22(24(28-17)34-3)31-9-11-35-12-10-31/h4-8,13-15H,9-12H2,1-3H3,(H,26,29,33)
InChIKeyZSFNQHDWWVQGEX-UHFFFAOYSA-N
XLogP2.96
TPSA120.18 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-morpholin-4-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoxaline-6-carboxamide?
The IUPAC name of 2-methoxy-3-morpholin-4-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoxaline-6-carboxamide (CID 138525667) is 2-methoxy-3-morpholin-4-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoxaline-6-carboxamide.
What is the SMILES notation for 2-methoxy-3-morpholin-4-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoxaline-6-carboxamide?
The canonical SMILES for 2-methoxy-3-morpholin-4-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoxaline-6-carboxamide is COc1nc2ccc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)cc2nc1N1CCOCC1.
What is the InChIKey of 2-methoxy-3-morpholin-4-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoxaline-6-carboxamide?
The InChIKey is ZSFNQHDWWVQGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O3/c1-15(2)32-14-25-30-21(32)18-5-4-6-20(26-18)29-23(33)16-7-8-17-19(13-16)27-22(24(28-17)34-3)31-9-11-35-12-10-31/h4-8,13-15H,9-12H2,1-3H3,(H,26,29,33).
What are the key properties of 2-methoxy-3-morpholin-4-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoxaline-6-carboxamide?
2-methoxy-3-morpholin-4-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoxaline-6-carboxamide has a molecular weight of 474.53 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-morpholin-4-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 138525667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).