(2R,3S)-3-hydroxy-11-methoxy-8-methyl-2-phenyl-5,8-diazatricyclo[7.4.0.02,5]trideca-1(9),10,12-triene-4,7-dione

C19H18N2O4 — CID 91010704

IUPAC(2R,3S)-3-hydroxy-11-methoxy-8-methyl-2-phenyl-5,8-diazatricyclo[7.4.0.02,5]trideca-1(9),10,12-triene-4,7-dione
SMILESCOc1ccc2c(c1)N(C)C(=O)CN1C(=O)[C@@H](O)[C@@]21c1ccccc1
InChIInChI=1S/C19H18N2O4/c1-20-15-10-13(25-2)8-9-14(15)19(12-6-4-3-5-7-12)17(23)18(24)21(19)11-16(20)22/h3-10,17,23H,11H2,1-2H3/t17-,19-/m1/s1
InChIKeyPLVOWFUFBQXYSI-IEBWSBKVSA-N
MW338.36 g/mol
LogP1.12
Rot. Bonds2

About (2R,3S)-3-hydroxy-11-methoxy-8-methyl-2-phenyl-5,8-diazatricyclo[7.4.0.02,5]trideca-1(9),10,12-triene-4,7-dione

(2R,3S)-3-hydroxy-11-methoxy-8-methyl-2-phenyl-5,8-diazatricyclo[7.4.0.02,5]trideca-1(9),10,12-triene-4,7-dione (PubChem CID 91010704) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is (2R,3S)-3-hydroxy-11-methoxy-8-methyl-2-phenyl-5,8-diazatricyclo[7.4.0.02,5]trideca-1(9),10,12-triene-4,7-dione.

Molecular Properties

Compound Name(2R,3S)-3-hydroxy-11-methoxy-8-methyl-2-phenyl-5,8-diazatricyclo[7.4.0.02,5]trideca-1(9),10,12-triene-4,7-dione
PubChem CID91010704
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name(2R,3S)-3-hydroxy-11-methoxy-8-methyl-2-phenyl-5,8-diazatricyclo[7.4.0.02,5]trideca-1(9),10,12-triene-4,7-dione
SMILESCOc1ccc2c(c1)N(C)C(=O)CN1C(=O)[C@@H](O)[C@@]21c1ccccc1
InChIInChI=1S/C19H18N2O4/c1-20-15-10-13(25-2)8-9-14(15)19(12-6-4-3-5-7-12)17(23)18(24)21(19)11-16(20)22/h3-10,17,23H,11H2,1-2H3/t17-,19-/m1/s1
InChIKeyPLVOWFUFBQXYSI-IEBWSBKVSA-N
XLogP1.12
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3S)-3-hydroxy-11-methoxy-8-methyl-2-phenyl-5,8-diazatricyclo[7.4.0.02,5]trideca-1(9),10,12-triene-4,7-dione with MolForge

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Related Compounds

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CID 69413264
(2S,3S)-11-methoxy-8-methyl-2-phenyl-3-phenylmethoxy-5,8-diazatricyclo[7.4.0.02,5]trideca-1(9),10,12-triene-4,7-dione
CID 69413268
3-hydroxy-6-methoxy-1-methyl-3-phenylindol-2-one
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12-chloro-8-methyl-2-phenyl-3-pyrimidin-2-yloxy-5,8-diazatricyclo[7.4.0.02,5]trideca-1(9),10,12-triene-4,7-dione
CID 69418667
4-(4-methoxybenzoyl)-1-methyl-3H-quinoxalin-2-one
CID 110669554
(2R,3S)-3-(4,6-dimethylpyrimidin-2-yl)oxy-8-methyl-2-[3-(trifluoromethyl)phenyl]-5,8-diazatricyclo[7.4.0.02,5]trideca-1(13),9,11-triene-4,7-dione
CID 90917577
2-(aminomethyl)-6'-methoxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
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(3aR,8bR)-7-methoxy-3,4-dimethyl-8b-phenyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 53467928
(2S,3S)-3-(4,6-dimethylpyrimidin-2-yl)oxy-8-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-5,8-diazatricyclo[7.4.0.02,5]trideca-1(13),9,11-triene-4,7-dione
CID 69413289
(2S,3S)-2-(3-butylphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxy-8-[(4-methoxyphenyl)methyl]-5,8-diazatricyclo[7.4.0.02,5]trideca-1(13),9,11-triene-4,7-dione
CID 69415662
3-(3,5-dimethoxyphenoxy)-2-phenyl-5-azatricyclo[7.4.0.02,5]trideca-1(13),9,11-trien-4-one
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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-hydroxy-11-methoxy-8-methyl-2-phenyl-5,8-diazatricyclo[7.4.0.02,5]trideca-1(9),10,12-triene-4,7-dione?
The IUPAC name of (2R,3S)-3-hydroxy-11-methoxy-8-methyl-2-phenyl-5,8-diazatricyclo[7.4.0.02,5]trideca-1(9),10,12-triene-4,7-dione (CID 91010704) is (2R,3S)-3-hydroxy-11-methoxy-8-methyl-2-phenyl-5,8-diazatricyclo[7.4.0.02,5]trideca-1(9),10,12-triene-4,7-dione.
What is the SMILES notation for (2R,3S)-3-hydroxy-11-methoxy-8-methyl-2-phenyl-5,8-diazatricyclo[7.4.0.02,5]trideca-1(9),10,12-triene-4,7-dione?
The canonical SMILES for (2R,3S)-3-hydroxy-11-methoxy-8-methyl-2-phenyl-5,8-diazatricyclo[7.4.0.02,5]trideca-1(9),10,12-triene-4,7-dione is COc1ccc2c(c1)N(C)C(=O)CN1C(=O)[C@@H](O)[C@@]21c1ccccc1.
What is the InChIKey of (2R,3S)-3-hydroxy-11-methoxy-8-methyl-2-phenyl-5,8-diazatricyclo[7.4.0.02,5]trideca-1(9),10,12-triene-4,7-dione?
The InChIKey is PLVOWFUFBQXYSI-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-20-15-10-13(25-2)8-9-14(15)19(12-6-4-3-5-7-12)17(23)18(24)21(19)11-16(20)22/h3-10,17,23H,11H2,1-2H3/t17-,19-/m1/s1.
What are the key properties of (2R,3S)-3-hydroxy-11-methoxy-8-methyl-2-phenyl-5,8-diazatricyclo[7.4.0.02,5]trideca-1(9),10,12-triene-4,7-dione?
(2R,3S)-3-hydroxy-11-methoxy-8-methyl-2-phenyl-5,8-diazatricyclo[7.4.0.02,5]trideca-1(9),10,12-triene-4,7-dione has a molecular weight of 338.36 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-hydroxy-11-methoxy-8-methyl-2-phenyl-5,8-diazatricyclo[7.4.0.02,5]trideca-1(9),10,12-triene-4,7-dione is sourced from PubChem (CID 91010704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).