6-cyclohexyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione

C18H17NO4 — CID 54687594

IUPAC6-cyclohexyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione
SMILESO=c1cc(O)c2c(=O)n(C3CCCCC3)c3ccccc3c2o1
InChIInChI=1S/C18H17NO4/c20-14-10-15(21)23-17-12-8-4-5-9-13(12)19(18(22)16(14)17)11-6-2-1-3-7-11/h4-5,8-11,20H,1-3,6-7H2
InChIKeyUIHYUKFWBJCQDS-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.32
Rot. Bonds1

About 6-cyclohexyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione

6-cyclohexyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione (PubChem CID 54687594) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 6-cyclohexyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name6-cyclohexyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione
PubChem CID54687594
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name6-cyclohexyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione
SMILESO=c1cc(O)c2c(=O)n(C3CCCCC3)c3ccccc3c2o1
InChIInChI=1S/C18H17NO4/c20-14-10-15(21)23-17-12-8-4-5-9-13(12)19(18(22)16(14)17)11-6-2-1-3-7-11/h4-5,8-11,20H,1-3,6-7H2
InChIKeyUIHYUKFWBJCQDS-UHFFFAOYSA-N
XLogP3.32
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of 6-cyclohexyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione (CID 54687594) is 6-cyclohexyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for 6-cyclohexyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for 6-cyclohexyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione is O=c1cc(O)c2c(=O)n(C3CCCCC3)c3ccccc3c2o1.
What is the InChIKey of 6-cyclohexyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is UIHYUKFWBJCQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c20-14-10-15(21)23-17-12-8-4-5-9-13(12)19(18(22)16(14)17)11-6-2-1-3-7-11/h4-5,8-11,20H,1-3,6-7H2.
What are the key properties of 6-cyclohexyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione?
6-cyclohexyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione has a molecular weight of 311.34 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 54687594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).