3-hydroxy-6-phenyl-3,4,7,8,9,10-hexahydro-2H-pyrano[3,2-c]quinolin-5-one

C18H19NO3 — CID 2785579

IUPAC3-hydroxy-6-phenyl-3,4,7,8,9,10-hexahydro-2H-pyrano[3,2-c]quinolin-5-one
SMILESO=c1c2c(c3c(n1-c1ccccc1)CCCC3)OCC(O)C2
InChIInChI=1S/C18H19NO3/c20-13-10-15-17(22-11-13)14-8-4-5-9-16(14)19(18(15)21)12-6-2-1-3-7-12/h1-3,6-7,13,20H,4-5,8-11H2
InChIKeyHCBJENMURQCZLG-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.01
Rot. Bonds1

About 3-hydroxy-6-phenyl-3,4,7,8,9,10-hexahydro-2H-pyrano[3,2-c]quinolin-5-one

3-hydroxy-6-phenyl-3,4,7,8,9,10-hexahydro-2H-pyrano[3,2-c]quinolin-5-one (PubChem CID 2785579) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-hydroxy-6-phenyl-3,4,7,8,9,10-hexahydro-2H-pyrano[3,2-c]quinolin-5-one.

Molecular Properties

Compound Name3-hydroxy-6-phenyl-3,4,7,8,9,10-hexahydro-2H-pyrano[3,2-c]quinolin-5-one
PubChem CID2785579
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name3-hydroxy-6-phenyl-3,4,7,8,9,10-hexahydro-2H-pyrano[3,2-c]quinolin-5-one
SMILESO=c1c2c(c3c(n1-c1ccccc1)CCCC3)OCC(O)C2
InChIInChI=1S/C18H19NO3/c20-13-10-15-17(22-11-13)14-8-4-5-9-16(14)19(18(15)21)12-6-2-1-3-7-12/h1-3,6-7,13,20H,4-5,8-11H2
InChIKeyHCBJENMURQCZLG-UHFFFAOYSA-N
XLogP2.01
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-6-phenyl-3,4,7,8,9,10-hexahydro-2H-pyrano[3,2-c]quinolin-5-one with MolForge

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Related Compounds

3-acetyl-4-hydroxy-1-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-one
CID 110273810
3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenyl-5,6,7,8-tetrahydroquinolin-2-one
CID 136756877
3-hydroxy-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one
CID 2784056
10-(4-chlorophenyl)-1,2,3,4-tetrahydroacridin-9-one
CID 165354564
1-hydroxy-2-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one
CID 91572460
(2-oxo-1-phenyl-5,6,7,8-tetrahydroquinolin-4-yl) 2-chlorobenzoate
CID 11794133
6-[3,5-bis(9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)phenyl]-9-phenyl-1,2,3,4-tetrahydrocarbazole
CID 58663485
9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indole
CID 11172700
2-tert-butyl-1,3-diphenyl-4,5,6,7-tetrahydroindole
CID 10711446
(4-hydroxypiperidin-1-yl)-(1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)methanone
CID 110895194
4-benzylsulfanyl-1-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
CID 20897270
5-(4-carbazol-9-ylphenyl)-12-phenyl-1,2,3,4-tetrahydroindolo[3,2-c]carbazole
CID 90055319

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-phenyl-3,4,7,8,9,10-hexahydro-2H-pyrano[3,2-c]quinolin-5-one?
The IUPAC name of 3-hydroxy-6-phenyl-3,4,7,8,9,10-hexahydro-2H-pyrano[3,2-c]quinolin-5-one (CID 2785579) is 3-hydroxy-6-phenyl-3,4,7,8,9,10-hexahydro-2H-pyrano[3,2-c]quinolin-5-one.
What is the SMILES notation for 3-hydroxy-6-phenyl-3,4,7,8,9,10-hexahydro-2H-pyrano[3,2-c]quinolin-5-one?
The canonical SMILES for 3-hydroxy-6-phenyl-3,4,7,8,9,10-hexahydro-2H-pyrano[3,2-c]quinolin-5-one is O=c1c2c(c3c(n1-c1ccccc1)CCCC3)OCC(O)C2.
What is the InChIKey of 3-hydroxy-6-phenyl-3,4,7,8,9,10-hexahydro-2H-pyrano[3,2-c]quinolin-5-one?
The InChIKey is HCBJENMURQCZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c20-13-10-15-17(22-11-13)14-8-4-5-9-16(14)19(18(15)21)12-6-2-1-3-7-12/h1-3,6-7,13,20H,4-5,8-11H2.
What are the key properties of 3-hydroxy-6-phenyl-3,4,7,8,9,10-hexahydro-2H-pyrano[3,2-c]quinolin-5-one?
3-hydroxy-6-phenyl-3,4,7,8,9,10-hexahydro-2H-pyrano[3,2-c]quinolin-5-one has a molecular weight of 297.35 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-phenyl-3,4,7,8,9,10-hexahydro-2H-pyrano[3,2-c]quinolin-5-one is sourced from PubChem (CID 2785579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).