6-phenyl-1,3,4,5-tetrahydropyrano[4,3-b]quinolin-10-one

C18H15NO2 — CID 106470890

IUPAC6-phenyl-1,3,4,5-tetrahydropyrano[4,3-b]quinolin-10-one
SMILESO=c1c2c([nH]c3c(-c4ccccc4)cccc13)CCOC2
InChIInChI=1S/C18H15NO2/c20-18-14-8-4-7-13(12-5-2-1-3-6-12)17(14)19-16-9-10-21-11-15(16)18/h1-8H,9-11H2,(H,19,20)
InChIKeyMBYSHUWVQRAKCI-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.27
Rot. Bonds1

About 6-phenyl-1,3,4,5-tetrahydropyrano[4,3-b]quinolin-10-one

6-phenyl-1,3,4,5-tetrahydropyrano[4,3-b]quinolin-10-one (PubChem CID 106470890) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 6-phenyl-1,3,4,5-tetrahydropyrano[4,3-b]quinolin-10-one.

Molecular Properties

Compound Name6-phenyl-1,3,4,5-tetrahydropyrano[4,3-b]quinolin-10-one
PubChem CID106470890
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name6-phenyl-1,3,4,5-tetrahydropyrano[4,3-b]quinolin-10-one
SMILESO=c1c2c([nH]c3c(-c4ccccc4)cccc13)CCOC2
InChIInChI=1S/C18H15NO2/c20-18-14-8-4-7-13(12-5-2-1-3-6-12)17(14)19-16-9-10-21-11-15(16)18/h1-8H,9-11H2,(H,19,20)
InChIKeyMBYSHUWVQRAKCI-UHFFFAOYSA-N
XLogP3.27
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1,3,4,5-tetrahydropyrano[4,3-b]quinolin-10-one?
The IUPAC name of 6-phenyl-1,3,4,5-tetrahydropyrano[4,3-b]quinolin-10-one (CID 106470890) is 6-phenyl-1,3,4,5-tetrahydropyrano[4,3-b]quinolin-10-one.
What is the SMILES notation for 6-phenyl-1,3,4,5-tetrahydropyrano[4,3-b]quinolin-10-one?
The canonical SMILES for 6-phenyl-1,3,4,5-tetrahydropyrano[4,3-b]quinolin-10-one is O=c1c2c([nH]c3c(-c4ccccc4)cccc13)CCOC2.
What is the InChIKey of 6-phenyl-1,3,4,5-tetrahydropyrano[4,3-b]quinolin-10-one?
The InChIKey is MBYSHUWVQRAKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c20-18-14-8-4-7-13(12-5-2-1-3-6-12)17(14)19-16-9-10-21-11-15(16)18/h1-8H,9-11H2,(H,19,20).
What are the key properties of 6-phenyl-1,3,4,5-tetrahydropyrano[4,3-b]quinolin-10-one?
6-phenyl-1,3,4,5-tetrahydropyrano[4,3-b]quinolin-10-one has a molecular weight of 277.32 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1,3,4,5-tetrahydropyrano[4,3-b]quinolin-10-one is sourced from PubChem (CID 106470890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).