(2R,3S)-3-hydroxy-2-(hydroxymethyl)-2,6-dimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one

C15H17NO4 — CID 7081551

IUPAC(2R,3S)-3-hydroxy-2-(hydroxymethyl)-2,6-dimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one
SMILESCn1c(=O)c2c(c3ccccc31)O[C@](C)(CO)[C@@H](O)C2
InChIInChI=1S/C15H17NO4/c1-15(8-17)12(18)7-10-13(20-15)9-5-3-4-6-11(9)16(2)14(10)19/h3-6,12,17-18H,7-8H2,1-2H3/t12-,15+/m0/s1
InChIKeyUTACRIJPENVRBM-SWLSCSKDSA-N
MW275.30 g/mol
LogP0.59
Rot. Bonds1

About (2R,3S)-3-hydroxy-2-(hydroxymethyl)-2,6-dimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one

(2R,3S)-3-hydroxy-2-(hydroxymethyl)-2,6-dimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one (PubChem CID 7081551) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is (2R,3S)-3-hydroxy-2-(hydroxymethyl)-2,6-dimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one.

Molecular Properties

Compound Name(2R,3S)-3-hydroxy-2-(hydroxymethyl)-2,6-dimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one
PubChem CID7081551
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name(2R,3S)-3-hydroxy-2-(hydroxymethyl)-2,6-dimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one
SMILESCn1c(=O)c2c(c3ccccc31)O[C@](C)(CO)[C@@H](O)C2
InChIInChI=1S/C15H17NO4/c1-15(8-17)12(18)7-10-13(20-15)9-5-3-4-6-11(9)16(2)14(10)19/h3-6,12,17-18H,7-8H2,1-2H3/t12-,15+/m0/s1
InChIKeyUTACRIJPENVRBM-SWLSCSKDSA-N
XLogP0.59
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3S)-3-hydroxy-2-(hydroxymethyl)-2,6-dimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one with MolForge

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Launch Full Analysis

Related Compounds

(3S)-3-hydroxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one
CID 57340431
3-hydroxy-5-methyl-2,3-dihydrofuro[3,2-c]quinolin-4-one
CID 15329366
9,10-dihydroxy-6,6,9,12-tetramethyl-7,8,10,10a-tetrahydro-6aH-isochromeno[4,3-c]quinolin-11-one
CID 162907654
5-methyl-2-phenyl-2-thiophen-2-yl-3H-furo[3,2-c]quinolin-4-one
CID 164686583
(12S,16R)-13-cyclohexylidene-8-methyl-17-oxa-8-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,14-pentaen-9-one
CID 11313608
3,5-dimethyl-3H-furo[3,2-c]quinoline-2,4-dione
CID 13329306
(2S)-2,3,3,5-tetramethyl-2H-furo[3,2-c]quinolin-4-one
CID 162943757
2-butoxy-6-methyl-3,4-dihydro-2H-pyrano[3,2-c]quinolin-5-one
CID 11392055
6-methyl-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
CID 4901306
4-(4-fluorophenyl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
CID 4911306
2,9-dimethyl-2-phenyl-3H-furo[2,3-b]quinolin-4-one
CID 12007220
2,2,5-trimethyl-3H-[1,3]oxazino[5,6-b]indol-4-one
CID 13285707

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-hydroxy-2-(hydroxymethyl)-2,6-dimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one?
The IUPAC name of (2R,3S)-3-hydroxy-2-(hydroxymethyl)-2,6-dimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one (CID 7081551) is (2R,3S)-3-hydroxy-2-(hydroxymethyl)-2,6-dimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one.
What is the SMILES notation for (2R,3S)-3-hydroxy-2-(hydroxymethyl)-2,6-dimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one?
The canonical SMILES for (2R,3S)-3-hydroxy-2-(hydroxymethyl)-2,6-dimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one is Cn1c(=O)c2c(c3ccccc31)O[C@](C)(CO)[C@@H](O)C2.
What is the InChIKey of (2R,3S)-3-hydroxy-2-(hydroxymethyl)-2,6-dimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one?
The InChIKey is UTACRIJPENVRBM-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H17NO4/c1-15(8-17)12(18)7-10-13(20-15)9-5-3-4-6-11(9)16(2)14(10)19/h3-6,12,17-18H,7-8H2,1-2H3/t12-,15+/m0/s1.
What are the key properties of (2R,3S)-3-hydroxy-2-(hydroxymethyl)-2,6-dimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one?
(2R,3S)-3-hydroxy-2-(hydroxymethyl)-2,6-dimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one has a molecular weight of 275.30 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-hydroxy-2-(hydroxymethyl)-2,6-dimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one is sourced from PubChem (CID 7081551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).