4-[[4-(4-methylphenyl)phenyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione

C22H17NO4 — CID 58317129

IUPAC4-[[4-(4-methylphenyl)phenyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCc1ccc(-c2ccc(Cc3cc(=O)oc4c3C(=O)NC(=O)C4)cc2)cc1
InChIInChI=1S/C22H17NO4/c1-13-2-6-15(7-3-13)16-8-4-14(5-9-16)10-17-11-20(25)27-18-12-19(24)23-22(26)21(17)18/h2-9,11H,10,12H2,1H3,(H,23,24,26)
InChIKeySMLDQGIWBQSEMO-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.02
Rot. Bonds3

About 4-[[4-(4-methylphenyl)phenyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione

4-[[4-(4-methylphenyl)phenyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317129) has the molecular formula C22H17NO4 and a molecular weight of 359.38 g/mol. Its IUPAC name is 4-[[4-(4-methylphenyl)phenyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-[[4-(4-methylphenyl)phenyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317129
Molecular FormulaC22H17NO4
Molecular Weight359.38 g/mol
Exact Mass359.12
IUPAC Name4-[[4-(4-methylphenyl)phenyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCc1ccc(-c2ccc(Cc3cc(=O)oc4c3C(=O)NC(=O)C4)cc2)cc1
InChIInChI=1S/C22H17NO4/c1-13-2-6-15(7-3-13)16-8-4-14(5-9-16)10-17-11-20(25)27-18-12-19(24)23-22(26)21(17)18/h2-9,11H,10,12H2,1H3,(H,23,24,26)
InChIKeySMLDQGIWBQSEMO-UHFFFAOYSA-N
XLogP3.02
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(2-fluorophenyl)phenyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317021
4-[(2-fluorophenyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317164
4-[(3-fluorophenyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317169
4-butyl-3-(4-fluorophenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317202
Ethyl 7-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 16490524
4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317011
4-(4-phenylbut-3-ynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317032
4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317033
4-(naphthalen-1-ylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317112
3-[(2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-4-yl)methyl]benzonitrile
CID 58317133
4-butyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317137
4-ethyl-3-(2-phenylethynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317159

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methylphenyl)phenyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-[[4-(4-methylphenyl)phenyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317129) is 4-[[4-(4-methylphenyl)phenyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-[[4-(4-methylphenyl)phenyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-[[4-(4-methylphenyl)phenyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione is Cc1ccc(-c2ccc(Cc3cc(=O)oc4c3C(=O)NC(=O)C4)cc2)cc1.
What is the InChIKey of 4-[[4-(4-methylphenyl)phenyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is SMLDQGIWBQSEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO4/c1-13-2-6-15(7-3-13)16-8-4-14(5-9-16)10-17-11-20(25)27-18-12-19(24)23-22(26)21(17)18/h2-9,11H,10,12H2,1H3,(H,23,24,26).
What are the key properties of 4-[[4-(4-methylphenyl)phenyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-[[4-(4-methylphenyl)phenyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 359.38 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methylphenyl)phenyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).