(11S)-5-methoxy-6-phenylmethoxy-13-oxa-1,7,9-triazatricyclo[9.4.0.03,8]pentadeca-3,5,7-triene-2,10-dione

C19H19N3O5 — CID 146569290

IUPAC(11S)-5-methoxy-6-phenylmethoxy-13-oxa-1,7,9-triazatricyclo[9.4.0.03,8]pentadeca-3,5,7-triene-2,10-dione
SMILESCOc1cc2c(nc1OCc1ccccc1)NC(=O)[C@@H]1COCCN1C2=O
InChIInChI=1S/C19H19N3O5/c1-25-15-9-13-16(21-18(15)27-10-12-5-3-2-4-6-12)20-17(23)14-11-26-8-7-22(14)19(13)24/h2-6,9,14H,7-8,10-11H2,1H3,(H,20,21,23)/t14-/m0/s1
InChIKeyGXSKRCLKUXYGJM-AWEZNQCLSA-N
MW369.38 g/mol
LogP1.46
Rot. Bonds4

About (11S)-5-methoxy-6-phenylmethoxy-13-oxa-1,7,9-triazatricyclo[9.4.0.03,8]pentadeca-3,5,7-triene-2,10-dione

(11S)-5-methoxy-6-phenylmethoxy-13-oxa-1,7,9-triazatricyclo[9.4.0.03,8]pentadeca-3,5,7-triene-2,10-dione (PubChem CID 146569290) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is (11S)-5-methoxy-6-phenylmethoxy-13-oxa-1,7,9-triazatricyclo[9.4.0.03,8]pentadeca-3,5,7-triene-2,10-dione.

Molecular Properties

Compound Name(11S)-5-methoxy-6-phenylmethoxy-13-oxa-1,7,9-triazatricyclo[9.4.0.03,8]pentadeca-3,5,7-triene-2,10-dione
PubChem CID146569290
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name(11S)-5-methoxy-6-phenylmethoxy-13-oxa-1,7,9-triazatricyclo[9.4.0.03,8]pentadeca-3,5,7-triene-2,10-dione
SMILESCOc1cc2c(nc1OCc1ccccc1)NC(=O)[C@@H]1COCCN1C2=O
InChIInChI=1S/C19H19N3O5/c1-25-15-9-13-16(21-18(15)27-10-12-5-3-2-4-6-12)20-17(23)14-11-26-8-7-22(14)19(13)24/h2-6,9,14H,7-8,10-11H2,1H3,(H,20,21,23)/t14-/m0/s1
InChIKeyGXSKRCLKUXYGJM-AWEZNQCLSA-N
XLogP1.46
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (11S)-5-methoxy-6-phenylmethoxy-13-oxa-1,7,9-triazatricyclo[9.4.0.03,8]pentadeca-3,5,7-triene-2,10-dione with MolForge

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Related Compounds

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CID 22046633
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(3R)-13-acetyl-11-phenylmethoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
CID 159448322
(6aS,8R)-8-hydroxy-2-methoxy-3-phenylmethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
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(3R)-3-(3-methoxy-4-phenylmethoxyphenyl)morpholine
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Frequently Asked Questions

What is the IUPAC name of (11S)-5-methoxy-6-phenylmethoxy-13-oxa-1,7,9-triazatricyclo[9.4.0.03,8]pentadeca-3,5,7-triene-2,10-dione?
The IUPAC name of (11S)-5-methoxy-6-phenylmethoxy-13-oxa-1,7,9-triazatricyclo[9.4.0.03,8]pentadeca-3,5,7-triene-2,10-dione (CID 146569290) is (11S)-5-methoxy-6-phenylmethoxy-13-oxa-1,7,9-triazatricyclo[9.4.0.03,8]pentadeca-3,5,7-triene-2,10-dione.
What is the SMILES notation for (11S)-5-methoxy-6-phenylmethoxy-13-oxa-1,7,9-triazatricyclo[9.4.0.03,8]pentadeca-3,5,7-triene-2,10-dione?
The canonical SMILES for (11S)-5-methoxy-6-phenylmethoxy-13-oxa-1,7,9-triazatricyclo[9.4.0.03,8]pentadeca-3,5,7-triene-2,10-dione is COc1cc2c(nc1OCc1ccccc1)NC(=O)[C@@H]1COCCN1C2=O.
What is the InChIKey of (11S)-5-methoxy-6-phenylmethoxy-13-oxa-1,7,9-triazatricyclo[9.4.0.03,8]pentadeca-3,5,7-triene-2,10-dione?
The InChIKey is GXSKRCLKUXYGJM-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-25-15-9-13-16(21-18(15)27-10-12-5-3-2-4-6-12)20-17(23)14-11-26-8-7-22(14)19(13)24/h2-6,9,14H,7-8,10-11H2,1H3,(H,20,21,23)/t14-/m0/s1.
What are the key properties of (11S)-5-methoxy-6-phenylmethoxy-13-oxa-1,7,9-triazatricyclo[9.4.0.03,8]pentadeca-3,5,7-triene-2,10-dione?
(11S)-5-methoxy-6-phenylmethoxy-13-oxa-1,7,9-triazatricyclo[9.4.0.03,8]pentadeca-3,5,7-triene-2,10-dione has a molecular weight of 369.38 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (11S)-5-methoxy-6-phenylmethoxy-13-oxa-1,7,9-triazatricyclo[9.4.0.03,8]pentadeca-3,5,7-triene-2,10-dione is sourced from PubChem (CID 146569290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).