6-(2-methoxyethyl)-11-[(4-methoxyphenyl)methyl]-1,5,6,8,11-pentazatricyclo[7.4.0.03,7]trideca-3(7),4,8-trien-2-one

C19H23N5O3 — CID 118956302

IUPAC6-(2-methoxyethyl)-11-[(4-methoxyphenyl)methyl]-1,5,6,8,11-pentazatricyclo[7.4.0.03,7]trideca-3(7),4,8-trien-2-one
SMILESCOCCn1ncc2c(=O)n3c(nc21)CN(Cc1ccc(OC)cc1)CC3
InChIInChI=1S/C19H23N5O3/c1-26-10-9-24-18-16(11-20-24)19(25)23-8-7-22(13-17(23)21-18)12-14-3-5-15(27-2)6-4-14/h3-6,11H,7-10,12-13H2,1-2H3
InChIKeyRMRSYIBFWPNHQX-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.26
Rot. Bonds6

About 6-(2-methoxyethyl)-11-[(4-methoxyphenyl)methyl]-1,5,6,8,11-pentazatricyclo[7.4.0.03,7]trideca-3(7),4,8-trien-2-one

6-(2-methoxyethyl)-11-[(4-methoxyphenyl)methyl]-1,5,6,8,11-pentazatricyclo[7.4.0.03,7]trideca-3(7),4,8-trien-2-one (PubChem CID 118956302) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 6-(2-methoxyethyl)-11-[(4-methoxyphenyl)methyl]-1,5,6,8,11-pentazatricyclo[7.4.0.03,7]trideca-3(7),4,8-trien-2-one.

Molecular Properties

Compound Name6-(2-methoxyethyl)-11-[(4-methoxyphenyl)methyl]-1,5,6,8,11-pentazatricyclo[7.4.0.03,7]trideca-3(7),4,8-trien-2-one
PubChem CID118956302
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name6-(2-methoxyethyl)-11-[(4-methoxyphenyl)methyl]-1,5,6,8,11-pentazatricyclo[7.4.0.03,7]trideca-3(7),4,8-trien-2-one
SMILESCOCCn1ncc2c(=O)n3c(nc21)CN(Cc1ccc(OC)cc1)CC3
InChIInChI=1S/C19H23N5O3/c1-26-10-9-24-18-16(11-20-24)19(25)23-8-7-22(13-17(23)21-18)12-14-3-5-15(27-2)6-4-14/h3-6,11H,7-10,12-13H2,1-2H3
InChIKeyRMRSYIBFWPNHQX-UHFFFAOYSA-N
XLogP1.26
TPSA74.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-(2-methoxyethyl)-11-[(4-methoxyphenyl)methyl]-1,5,6,8,11-pentazatricyclo[7.4.0.03,7]trideca-3(7),4,8-trien-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethyl)-11-[(4-methoxyphenyl)methyl]-1,5,6,8,11-pentazatricyclo[7.4.0.03,7]trideca-3(7),4,8-trien-2-one?
The IUPAC name of 6-(2-methoxyethyl)-11-[(4-methoxyphenyl)methyl]-1,5,6,8,11-pentazatricyclo[7.4.0.03,7]trideca-3(7),4,8-trien-2-one (CID 118956302) is 6-(2-methoxyethyl)-11-[(4-methoxyphenyl)methyl]-1,5,6,8,11-pentazatricyclo[7.4.0.03,7]trideca-3(7),4,8-trien-2-one.
What is the SMILES notation for 6-(2-methoxyethyl)-11-[(4-methoxyphenyl)methyl]-1,5,6,8,11-pentazatricyclo[7.4.0.03,7]trideca-3(7),4,8-trien-2-one?
The canonical SMILES for 6-(2-methoxyethyl)-11-[(4-methoxyphenyl)methyl]-1,5,6,8,11-pentazatricyclo[7.4.0.03,7]trideca-3(7),4,8-trien-2-one is COCCn1ncc2c(=O)n3c(nc21)CN(Cc1ccc(OC)cc1)CC3.
What is the InChIKey of 6-(2-methoxyethyl)-11-[(4-methoxyphenyl)methyl]-1,5,6,8,11-pentazatricyclo[7.4.0.03,7]trideca-3(7),4,8-trien-2-one?
The InChIKey is RMRSYIBFWPNHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-26-10-9-24-18-16(11-20-24)19(25)23-8-7-22(13-17(23)21-18)12-14-3-5-15(27-2)6-4-14/h3-6,11H,7-10,12-13H2,1-2H3.
What are the key properties of 6-(2-methoxyethyl)-11-[(4-methoxyphenyl)methyl]-1,5,6,8,11-pentazatricyclo[7.4.0.03,7]trideca-3(7),4,8-trien-2-one?
6-(2-methoxyethyl)-11-[(4-methoxyphenyl)methyl]-1,5,6,8,11-pentazatricyclo[7.4.0.03,7]trideca-3(7),4,8-trien-2-one has a molecular weight of 369.43 g/mol, XLogP of 1.26, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethyl)-11-[(4-methoxyphenyl)methyl]-1,5,6,8,11-pentazatricyclo[7.4.0.03,7]trideca-3(7),4,8-trien-2-one is sourced from PubChem (CID 118956302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).