1,3-benzoxazin-4-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one

C47H29N7O12 — CID 159329766

IUPAC1,3-benzoxazin-4-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one
SMILESO=c1ccoc2cccnc12.O=c1ccoc2ccncc12.O=c1ccoc2cnccc12.O=c1ccoc2ncccc12.O=c1ccoc2nnccc12.O=c1ncoc2ccccc12
InChIInChI=1S/5C8H5NO2.C7H4N2O2/c10-7-2-4-11-8-1-3-9-5-6(7)8;10-7-2-4-11-8-5-9-3-1-6(7)8;10-6-3-5-11-7-2-1-4-9-8(6)7;10-7-3-5-11-8-6(7)2-1-4-9-8;10-8-6-3-1-2-4-7(6)11-5-9-8;10-6-2-4-11-7-5(6)1-3-8-9-7/h5*1-5H;1-4H
InChIKeyLEVFHWYIALVVLS-UHFFFAOYSA-N
MW883.79 g/mol
LogP6.52
Rot. Bonds

About 1,3-benzoxazin-4-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one

1,3-benzoxazin-4-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one (PubChem CID 159329766) has the molecular formula C47H29N7O12 and a molecular weight of 883.79 g/mol. Its IUPAC name is 1,3-benzoxazin-4-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name1,3-benzoxazin-4-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one
PubChem CID159329766
Molecular FormulaC47H29N7O12
Molecular Weight883.79 g/mol
Exact Mass883.19
IUPAC Name1,3-benzoxazin-4-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one
SMILESO=c1ccoc2cccnc12.O=c1ccoc2ccncc12.O=c1ccoc2cnccc12.O=c1ccoc2ncccc12.O=c1ccoc2nnccc12.O=c1ncoc2ccccc12
InChIInChI=1S/5C8H5NO2.C7H4N2O2/c10-7-2-4-11-8-1-3-9-5-6(7)8;10-7-2-4-11-8-5-9-3-1-6(7)8;10-6-3-5-11-7-2-1-4-9-8(6)7;10-7-3-5-11-8-6(7)2-1-4-9-8;10-8-6-3-1-2-4-7(6)11-5-9-8;10-6-2-4-11-7-5(6)1-3-8-9-7/h5*1-5H;1-4H
InChIKeyLEVFHWYIALVVLS-UHFFFAOYSA-N
XLogP6.52
TPSA271.49 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500883.79
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 1,3-benzoxazin-4-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazin-4-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one?
The IUPAC name of 1,3-benzoxazin-4-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one (CID 159329766) is 1,3-benzoxazin-4-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one.
What is the SMILES notation for 1,3-benzoxazin-4-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one?
The canonical SMILES for 1,3-benzoxazin-4-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one is O=c1ccoc2cccnc12.O=c1ccoc2ccncc12.O=c1ccoc2cnccc12.O=c1ccoc2ncccc12.O=c1ccoc2nnccc12.O=c1ncoc2ccccc12.
What is the InChIKey of 1,3-benzoxazin-4-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one?
The InChIKey is LEVFHWYIALVVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/5C8H5NO2.C7H4N2O2/c10-7-2-4-11-8-1-3-9-5-6(7)8;10-7-2-4-11-8-5-9-3-1-6(7)8;10-6-3-5-11-7-2-1-4-9-8(6)7;10-7-3-5-11-8-6(7)2-1-4-9-8;10-8-6-3-1-2-4-7(6)11-5-9-8;10-6-2-4-11-7-5(6)1-3-8-9-7/h5*1-5H;1-4H.
What are the key properties of 1,3-benzoxazin-4-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one?
1,3-benzoxazin-4-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one has a molecular weight of 883.79 g/mol, XLogP of 6.52, 0 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazin-4-one;pyrano[2,3-b]pyridin-4-one;pyrano[3,2-b]pyridin-4-one;pyrano[2,3-c]pyridazin-5-one;pyrano[2,3-c]pyridin-4-one;pyrano[3,2-c]pyridin-4-one is sourced from PubChem (CID 159329766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).