4-butyl-3-(4-chlorophenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione

C18H16ClNO4 — CID 58317057

IUPAC4-butyl-3-(4-chlorophenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCCCCc1c2c(oc(=O)c1-c1ccc(Cl)cc1)CC(=O)NC2=O
InChIInChI=1S/C18H16ClNO4/c1-2-3-4-12-15(10-5-7-11(19)8-6-10)18(23)24-13-9-14(21)20-17(22)16(12)13/h5-8H,2-4,9H2,1H3,(H,20,21,22)
InChIKeyCQWPNRCINKKDJC-UHFFFAOYSA-N
MW345.78 g/mol
LogP3.12
Rot. Bonds4

About 4-butyl-3-(4-chlorophenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione

4-butyl-3-(4-chlorophenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317057) has the molecular formula C18H16ClNO4 and a molecular weight of 345.78 g/mol. Its IUPAC name is 4-butyl-3-(4-chlorophenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-butyl-3-(4-chlorophenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317057
Molecular FormulaC18H16ClNO4
Molecular Weight345.78 g/mol
Exact Mass345.08
IUPAC Name4-butyl-3-(4-chlorophenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCCCCc1c2c(oc(=O)c1-c1ccc(Cl)cc1)CC(=O)NC2=O
InChIInChI=1S/C18H16ClNO4/c1-2-3-4-12-15(10-5-7-11(19)8-6-10)18(23)24-13-9-14(21)20-17(22)16(12)13/h5-8H,2-4,9H2,1H3,(H,20,21,22)
InChIKeyCQWPNRCINKKDJC-UHFFFAOYSA-N
XLogP3.12
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.78
LogP ≤ 53.12
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

N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 16021197
4-(2-cyclobutylethyl)-3-(4-fluorophenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317075
4-butyl-3-(4-fluorophenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317202
Ethyl 3-(4-chlorocinnamoylamino)-3-oxo-2-phenylpropionate
CID 129764102
4-butyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317137
4-(2-cyclobutylethyl)-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317181
4-(2-cyclobutylethyl)-3-(4-methylphenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317200
4-butyl-3-(4-methylphenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317253
5-butyl-6-(4-chlorophenyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 59304721
4-butyl-5-(4-chlorophenyl)-N-formyl-2-(methylamino)-6-oxopyran-3-carboxamide;ethane
CID 143332936
4-butyl-5-(4-chlorophenyl)-N-formyl-2-(methylamino)-6-oxopyran-3-carboxamide
CID 143332937

Frequently Asked Questions

What is the IUPAC name of 4-butyl-3-(4-chlorophenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-butyl-3-(4-chlorophenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317057) is 4-butyl-3-(4-chlorophenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-butyl-3-(4-chlorophenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-butyl-3-(4-chlorophenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is CCCCc1c2c(oc(=O)c1-c1ccc(Cl)cc1)CC(=O)NC2=O.
What is the InChIKey of 4-butyl-3-(4-chlorophenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is CQWPNRCINKKDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO4/c1-2-3-4-12-15(10-5-7-11(19)8-6-10)18(23)24-13-9-14(21)20-17(22)16(12)13/h5-8H,2-4,9H2,1H3,(H,20,21,22).
What are the key properties of 4-butyl-3-(4-chlorophenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-butyl-3-(4-chlorophenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 345.78 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3-(4-chlorophenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).