[Synonyms]
ZINC00920370
ASN 04267184
(6,8-Dimethyl-2-thiophen-2-yl-quinolin-4-yl)-morpholin-4-yl-methanone
[Structure]
[ Properties Computed from Structure]
[ Descriptors Computed from Structure]
IUPAC Name: (6,8-dimethyl-2-thiophen-2-ylquinolin-4-yl)-morpholin-4-ylmethanone
Canonical SMILES: CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)N4CCOCC4)C
InChI: InChI=1/C20H20N2O2S/c1-13-10-14(2)19-15(11-13)16(20(23)22-5-7-24-8-6-22)
12-17(21-19)18-4-3-9-25-18/h3-4,9-12H,5-8H2,1-2H3
ZINC00920370
ASN 04267184
(6,8-Dimethyl-2-thiophen-2-yl-quinolin-4-yl)-morpholin-4-yl-methanone
[Structure]
[ Properties Computed from Structure]
| Molecular Weight | 352.45 [g/mol] |
| Molecular Formula | C20H20N2O2S |
| XLogP | 3 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 352.124549 |
| MonoIsotopic Mass | 352.124549 |
| Topological Polar Surface Area | 42.4 |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 482 |
| Isotope Atom Count | 0 |
| Defined Atom StereoCenter Count | 0 |
| Undefined Atom StereoCenter Count | 0 |
| Defined Bond StereoCenter Count | 0 |
| Undefined Bond StereoCenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
[ Descriptors Computed from Structure]
IUPAC Name: (6,8-dimethyl-2-thiophen-2-ylquinolin-4-yl)-morpholin-4-ylmethanone
Canonical SMILES: CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)N4CCOCC4)C
InChI: InChI=1/C20H20N2O2S/c1-13-10-14(2)19-15(11-13)16(20(23)22-5-7-24-8-6-22)
12-17(21-19)18-4-3-9-25-18/h3-4,9-12H,5-8H2,1-2H3
