7-methyl-4-quinoxalin-5-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione

C17H13N3O3 — CID 71701331

IUPAC7-methyl-4-quinoxalin-5-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2c(c(=O)[nH]1)C(c1cccc3nccnc13)CC(=O)O2
InChIInChI=1S/C17H13N3O3/c1-9-7-13-15(17(22)20-9)11(8-14(21)23-13)10-3-2-4-12-16(10)19-6-5-18-12/h2-7,11H,8H2,1H3,(H,20,22)
InChIKeyWHRASDPUYLGTTN-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.07
Rot. Bonds1

About 7-methyl-4-quinoxalin-5-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione

7-methyl-4-quinoxalin-5-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 71701331) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 7-methyl-4-quinoxalin-5-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name7-methyl-4-quinoxalin-5-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID71701331
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name7-methyl-4-quinoxalin-5-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2c(c(=O)[nH]1)C(c1cccc3nccnc13)CC(=O)O2
InChIInChI=1S/C17H13N3O3/c1-9-7-13-15(17(22)20-9)11(8-14(21)23-13)10-3-2-4-12-16(10)19-6-5-18-12/h2-7,11H,8H2,1H3,(H,20,22)
InChIKeyWHRASDPUYLGTTN-UHFFFAOYSA-N
XLogP2.07
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-quinoxalin-5-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 7-methyl-4-quinoxalin-5-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione (CID 71701331) is 7-methyl-4-quinoxalin-5-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 7-methyl-4-quinoxalin-5-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 7-methyl-4-quinoxalin-5-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione is Cc1cc2c(c(=O)[nH]1)C(c1cccc3nccnc13)CC(=O)O2.
What is the InChIKey of 7-methyl-4-quinoxalin-5-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is WHRASDPUYLGTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c1-9-7-13-15(17(22)20-9)11(8-14(21)23-13)10-3-2-4-12-16(10)19-6-5-18-12/h2-7,11H,8H2,1H3,(H,20,22).
What are the key properties of 7-methyl-4-quinoxalin-5-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
7-methyl-4-quinoxalin-5-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 307.31 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-quinoxalin-5-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 71701331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).