(4aR,10bS)-4,6-dimethyl-4a,10b-dihydropyrano[3,2-c]quinoline-2,5-dione

C14H13NO3 — CID 40534710

IUPAC(4aR,10bS)-4,6-dimethyl-4a,10b-dihydropyrano[3,2-c]quinoline-2,5-dione
SMILESCC1=CC(=O)O[C@@H]2c3ccccc3N(C)C(=O)[C@H]12
InChIInChI=1S/C14H13NO3/c1-8-7-11(16)18-13-9-5-3-4-6-10(9)15(2)14(17)12(8)13/h3-7,12-13H,1-2H3/t12-,13-/m1/s1
InChIKeyGAZRBEUBVQEJKZ-CHWSQXEVSA-N
MW243.26 g/mol
LogP1.82
Rot. Bonds

About (4aR,10bS)-4,6-dimethyl-4a,10b-dihydropyrano[3,2-c]quinoline-2,5-dione

(4aR,10bS)-4,6-dimethyl-4a,10b-dihydropyrano[3,2-c]quinoline-2,5-dione (PubChem CID 40534710) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is (4aR,10bS)-4,6-dimethyl-4a,10b-dihydropyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name(4aR,10bS)-4,6-dimethyl-4a,10b-dihydropyrano[3,2-c]quinoline-2,5-dione
PubChem CID40534710
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name(4aR,10bS)-4,6-dimethyl-4a,10b-dihydropyrano[3,2-c]quinoline-2,5-dione
SMILESCC1=CC(=O)O[C@@H]2c3ccccc3N(C)C(=O)[C@H]12
InChIInChI=1S/C14H13NO3/c1-8-7-11(16)18-13-9-5-3-4-6-10(9)15(2)14(17)12(8)13/h3-7,12-13H,1-2H3/t12-,13-/m1/s1
InChIKeyGAZRBEUBVQEJKZ-CHWSQXEVSA-N
XLogP1.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4aR,10bS)-4,6-dimethyl-4a,10b-dihydropyrano[3,2-c]quinoline-2,5-dione with MolForge

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Related Compounds

4,6-dimethyl-4a,10b-dihydropyrano[3,2-c]quinoline-2,5-dione
CID 5050390
1,3-dimethyl-4-phenyl-3,4-dihydroquinolin-2-one
CID 20689381
(3R)-1-methyl-3-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-3H-indol-2-one
CID 102025482
(3S)-3-cyclohexyl-1-methyl-3H-indol-2-one
CID 135061670
3-(1-butyl-2-oxo-3H-indol-3-yl)-1-methyl-3H-indol-2-one
CID 101259896
10-methyl-9-(10-methyl-9H-acridin-9-yl)-9H-acridine
CID 11079635
3-amino-1-methyl-4-phenyl-3,4-dihydroquinolin-2-one
CID 22312029
4,6-dimethyl-3,4,4a,10b-tetrahydropyrano[3,2-c]quinoline-2,5-dione
CID 3677244
(3R)-3-ethyl-1-methyl-3H-indol-2-one
CID 51382688
1-methyl-3-prop-2-ynyl-3H-indol-2-one
CID 141131768
2,2,6-trimethyl-4a,10b-dihydropyrano[3,2-c]quinolin-5-one
CID 10466956
3-benzyl-1-methyl-3H-indol-2-one
CID 11207126

Frequently Asked Questions

What is the IUPAC name of (4aR,10bS)-4,6-dimethyl-4a,10b-dihydropyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of (4aR,10bS)-4,6-dimethyl-4a,10b-dihydropyrano[3,2-c]quinoline-2,5-dione (CID 40534710) is (4aR,10bS)-4,6-dimethyl-4a,10b-dihydropyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for (4aR,10bS)-4,6-dimethyl-4a,10b-dihydropyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for (4aR,10bS)-4,6-dimethyl-4a,10b-dihydropyrano[3,2-c]quinoline-2,5-dione is CC1=CC(=O)O[C@@H]2c3ccccc3N(C)C(=O)[C@H]12.
What is the InChIKey of (4aR,10bS)-4,6-dimethyl-4a,10b-dihydropyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is GAZRBEUBVQEJKZ-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H13NO3/c1-8-7-11(16)18-13-9-5-3-4-6-10(9)15(2)14(17)12(8)13/h3-7,12-13H,1-2H3/t12-,13-/m1/s1.
What are the key properties of (4aR,10bS)-4,6-dimethyl-4a,10b-dihydropyrano[3,2-c]quinoline-2,5-dione?
(4aR,10bS)-4,6-dimethyl-4a,10b-dihydropyrano[3,2-c]quinoline-2,5-dione has a molecular weight of 243.26 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,10bS)-4,6-dimethyl-4a,10b-dihydropyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 40534710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).