4-(2-ethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione

C17H19NO3 — CID 3162355

IUPAC4-(2-ethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCCOc1ccccc1C1CC(=O)NC2=C1C(=O)CCC2
InChIInChI=1S/C17H19NO3/c1-2-21-15-9-4-3-6-11(15)12-10-16(20)18-13-7-5-8-14(19)17(12)13/h3-4,6,9,12H,2,5,7-8,10H2,1H3,(H,18,20)
InChIKeyHBTGOSIMNDYJOC-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.70
Rot. Bonds3

About 4-(2-ethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione

4-(2-ethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (PubChem CID 3162355) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
PubChem CID3162355
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name4-(2-ethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESCCOc1ccccc1C1CC(=O)NC2=C1C(=O)CCC2
InChIInChI=1S/C17H19NO3/c1-2-21-15-9-4-3-6-11(15)12-10-16(20)18-13-7-5-8-14(19)17(12)13/h3-4,6,9,12H,2,5,7-8,10H2,1H3,(H,18,20)
InChIKeyHBTGOSIMNDYJOC-UHFFFAOYSA-N
XLogP2.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The IUPAC name of 4-(2-ethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (CID 3162355) is 4-(2-ethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.
What is the SMILES notation for 4-(2-ethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The canonical SMILES for 4-(2-ethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is CCOc1ccccc1C1CC(=O)NC2=C1C(=O)CCC2.
What is the InChIKey of 4-(2-ethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The InChIKey is HBTGOSIMNDYJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-2-21-15-9-4-3-6-11(15)12-10-16(20)18-13-7-5-8-14(19)17(12)13/h3-4,6,9,12H,2,5,7-8,10H2,1H3,(H,18,20).
What are the key properties of 4-(2-ethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
4-(2-ethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione has a molecular weight of 285.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is sourced from PubChem (CID 3162355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).