2-[5-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one

C24H24FN3O2S — CID 11201441

IUPAC2-[5-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one
SMILESCC1(C)CC(=O)c2ccc(-c3ncc(-c4cc(F)cc(N5CCOCC5)c4)s3)nc2C1
InChIInChI=1S/C24H24FN3O2S/c1-24(2)12-20-18(21(29)13-24)3-4-19(27-20)23-26-14-22(31-23)15-9-16(25)11-17(10-15)28-5-7-30-8-6-28/h3-4,9-11,14H,5-8,12-13H2,1-2H3
InChIKeyHDCSMUMZOPBTFR-UHFFFAOYSA-N
MW437.54 g/mol
LogP5.00
Rot. Bonds3

About 2-[5-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one

2-[5-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one (PubChem CID 11201441) has the molecular formula C24H24FN3O2S and a molecular weight of 437.54 g/mol. Its IUPAC name is 2-[5-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one.

Molecular Properties

Compound Name2-[5-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one
PubChem CID11201441
Molecular FormulaC24H24FN3O2S
Molecular Weight437.54 g/mol
Exact Mass437.16
IUPAC Name2-[5-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one
SMILESCC1(C)CC(=O)c2ccc(-c3ncc(-c4cc(F)cc(N5CCOCC5)c4)s3)nc2C1
InChIInChI=1S/C24H24FN3O2S/c1-24(2)12-20-18(21(29)13-24)3-4-19(27-20)23-26-14-22(31-23)15-9-16(25)11-17(10-15)28-5-7-30-8-6-28/h3-4,9-11,14H,5-8,12-13H2,1-2H3
InChIKeyHDCSMUMZOPBTFR-UHFFFAOYSA-N
XLogP5.00
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one?
The IUPAC name of 2-[5-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one (CID 11201441) is 2-[5-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one.
What is the SMILES notation for 2-[5-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one?
The canonical SMILES for 2-[5-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one is CC1(C)CC(=O)c2ccc(-c3ncc(-c4cc(F)cc(N5CCOCC5)c4)s3)nc2C1.
What is the InChIKey of 2-[5-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one?
The InChIKey is HDCSMUMZOPBTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2S/c1-24(2)12-20-18(21(29)13-24)3-4-19(27-20)23-26-14-22(31-23)15-9-16(25)11-17(10-15)28-5-7-30-8-6-28/h3-4,9-11,14H,5-8,12-13H2,1-2H3.
What are the key properties of 2-[5-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one?
2-[5-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one has a molecular weight of 437.54 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one is sourced from PubChem (CID 11201441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).