(4R,7S)-4,7-dimethyl-2-quinolin-5-yl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol

C19H18N2O3 — CID 91488235

IUPAC(4R,7S)-4,7-dimethyl-2-quinolin-5-yl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol
SMILESC[C@]12CC[C@](C)(O1)c1c2c(O)n(-c2cccc3ncccc23)c1O
InChIInChI=1S/C19H18N2O3/c1-18-8-9-19(2,24-18)15-14(18)16(22)21(17(15)23)13-7-3-6-12-11(13)5-4-10-20-12/h3-7,10,22-23H,8-9H2,1-2H3/t18-,19+
InChIKeyOPNQZYJQNKCSHF-KDURUIRLSA-N
MW322.36 g/mol
LogP3.69
Rot. Bonds1

About (4R,7S)-4,7-dimethyl-2-quinolin-5-yl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol

(4R,7S)-4,7-dimethyl-2-quinolin-5-yl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol (PubChem CID 91488235) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is (4R,7S)-4,7-dimethyl-2-quinolin-5-yl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol.

Molecular Properties

Compound Name(4R,7S)-4,7-dimethyl-2-quinolin-5-yl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol
PubChem CID91488235
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name(4R,7S)-4,7-dimethyl-2-quinolin-5-yl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol
SMILESC[C@]12CC[C@](C)(O1)c1c2c(O)n(-c2cccc3ncccc23)c1O
InChIInChI=1S/C19H18N2O3/c1-18-8-9-19(2,24-18)15-14(18)16(22)21(17(15)23)13-7-3-6-12-11(13)5-4-10-20-12/h3-7,10,22-23H,8-9H2,1-2H3/t18-,19+
InChIKeyOPNQZYJQNKCSHF-KDURUIRLSA-N
XLogP3.69
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4R,7S)-4,7-dimethyl-2-quinolin-5-yl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,7S)-4,7-dimethyl-2-quinolin-5-yl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol?
The IUPAC name of (4R,7S)-4,7-dimethyl-2-quinolin-5-yl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol (CID 91488235) is (4R,7S)-4,7-dimethyl-2-quinolin-5-yl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol.
What is the SMILES notation for (4R,7S)-4,7-dimethyl-2-quinolin-5-yl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol?
The canonical SMILES for (4R,7S)-4,7-dimethyl-2-quinolin-5-yl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol is C[C@]12CC[C@](C)(O1)c1c2c(O)n(-c2cccc3ncccc23)c1O.
What is the InChIKey of (4R,7S)-4,7-dimethyl-2-quinolin-5-yl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol?
The InChIKey is OPNQZYJQNKCSHF-KDURUIRLSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-18-8-9-19(2,24-18)15-14(18)16(22)21(17(15)23)13-7-3-6-12-11(13)5-4-10-20-12/h3-7,10,22-23H,8-9H2,1-2H3/t18-,19+.
What are the key properties of (4R,7S)-4,7-dimethyl-2-quinolin-5-yl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol?
(4R,7S)-4,7-dimethyl-2-quinolin-5-yl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol has a molecular weight of 322.36 g/mol, XLogP of 3.69, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7S)-4,7-dimethyl-2-quinolin-5-yl-5,6-dihydro-4,7-epoxyisoindole-1,3-diol is sourced from PubChem (CID 91488235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).