7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(4aH)-one - CAS 1053656-41-9
Catalog: |
BB001623 |
Product Name: |
7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(4aH)-one |
CAS: |
1053656-41-9 |
Synonyms: |
7-(phenylmethyl)-4a,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one; 7-benzyl-4a,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one |
IUPAC Name: | 7-benzyl-4a,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one |
Description: | 7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(4aH)-one (CAS# 1053656-41-9) is a useful research chemical. |
Molecular Weight: | 241.29 |
Molecular Formula: | C14H15N3O |
Canonical SMILES: | C1CN(CC2=NC=NC(=O)C21)CC3=CC=CC=C3 |
InChI: | InChI=1S/C14H15N3O/c18-14-12-6-7-17(9-13(12)15-10-16-14)8-11-4-2-1-3-5-11/h1-5,10,12H,6-9H2 |
InChI Key: | ARGXWQQETZHTBW-UHFFFAOYSA-N |
Boiling Point: | 376.5 °C at 760 mmHg |
Density: | 1.27 g/cm3 |
MDL: | MFCD10566313 |
LogP: | 0.32710 |
Publication Number | Title | Priority Date |
US-2011257151-A1 | Novel 3,3-dimethyl tetrahydroquinoline derivatives | 20100414 |
WO-2011128251-A1 | Novel 3,3-dimethyl tetrahydroquinoline derivatives | 20100414 |
WO-2006118598-A1 | Bicycloheteroarylamine compounds as ion channel ligands and uses thereof | 20050504 |
CA-2550717-A1 | Bicycloheteroarylamine compounds as ion channel ligands and uses thereof | 20031224 |
EP-1697361-A1 | Bicycloheteroarylamine compounds as ion channel ligands and uses thereof | 20031224 |
Complexity: | 383 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.12151211 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.12151211 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 45 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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