3-hydroxy-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one

C12H11NO3 — CID 2784056

IUPAC3-hydroxy-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one
SMILESO=c1[nH]c2ccccc2c2c1CC(O)CO2
InChIInChI=1S/C12H11NO3/c14-7-5-9-11(16-6-7)8-3-1-2-4-10(8)13-12(9)15/h1-4,7,14H,5-6H2,(H,13,15)
InChIKeyGZPBDGVMDBROOW-UHFFFAOYSA-N
MW217.22 g/mol
LogP0.82
Rot. Bonds

About 3-hydroxy-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one

3-hydroxy-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one (PubChem CID 2784056) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 3-hydroxy-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one.

Molecular Properties

Compound Name3-hydroxy-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one
PubChem CID2784056
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name3-hydroxy-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one
SMILESO=c1[nH]c2ccccc2c2c1CC(O)CO2
InChIInChI=1S/C12H11NO3/c14-7-5-9-11(16-6-7)8-3-1-2-4-10(8)13-12(9)15/h1-4,7,14H,5-6H2,(H,13,15)
InChIKeyGZPBDGVMDBROOW-UHFFFAOYSA-N
XLogP0.82
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxypropan-2-yl)-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one
CID 10610359
2-hexyl-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one
CID 101102984
4-cyclopropyl-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
CID 6324683
(8R)-8-[(1R)-1-hydroxy-2-methylpropyl]-7,8-dihydro-5H-phenanthridin-6-one
CID 102421534
(4S)-4-(2-methylphenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
CID 7426431
7,8-dihydro-5H-phenanthridin-6-one
CID 118650763
(4R)-4-thiophen-3-yl-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
CID 7220907
(9R)-9-[(4-hydroxyphenyl)methyl]-9,10-dihydro-5H-[1,4]dioxino[2,3-j]phenanthridin-6-one
CID 162952513
(4R)-4-[3-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
CID 7220904
(7aS)-5,7,7a,8,9,10-hexahydroindolizino[7,6-c]quinoline-6,12-dione
CID 11368816
2,3,4,6-tetrahydrothiopyrano[3,2-c]quinolin-5-one
CID 170057452
(2R,3R)-2-(furan-2-yl)-3-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one
CID 134950895

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one?
The IUPAC name of 3-hydroxy-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one (CID 2784056) is 3-hydroxy-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one.
What is the SMILES notation for 3-hydroxy-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one?
The canonical SMILES for 3-hydroxy-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one is O=c1[nH]c2ccccc2c2c1CC(O)CO2.
What is the InChIKey of 3-hydroxy-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one?
The InChIKey is GZPBDGVMDBROOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c14-7-5-9-11(16-6-7)8-3-1-2-4-10(8)13-12(9)15/h1-4,7,14H,5-6H2,(H,13,15).
What are the key properties of 3-hydroxy-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one?
3-hydroxy-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one has a molecular weight of 217.22 g/mol, XLogP of 0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one is sourced from PubChem (CID 2784056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).