2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one

C20H17FN2OS — CID 11416866

IUPAC2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one
SMILESCC1(C)CC(=O)c2ccc(-c3ncc(-c4cccc(F)c4)s3)nc2C1
InChIInChI=1S/C20H17FN2OS/c1-20(2)9-16-14(17(24)10-20)6-7-15(23-16)19-22-11-18(25-19)12-4-3-5-13(21)8-12/h3-8,11H,9-10H2,1-2H3
InChIKeyDNLSEUXOFWWEAE-UHFFFAOYSA-N
MW352.43 g/mol
LogP5.17
Rot. Bonds2

About 2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one

2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one (PubChem CID 11416866) has the molecular formula C20H17FN2OS and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one.

Molecular Properties

Compound Name2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one
PubChem CID11416866
Molecular FormulaC20H17FN2OS
Molecular Weight352.43 g/mol
Exact Mass352.10
IUPAC Name2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one
SMILESCC1(C)CC(=O)c2ccc(-c3ncc(-c4cccc(F)c4)s3)nc2C1
InChIInChI=1S/C20H17FN2OS/c1-20(2)9-16-14(17(24)10-20)6-7-15(23-16)19-22-11-18(25-19)12-4-3-5-13(21)8-12/h3-8,11H,9-10H2,1-2H3
InChIKeyDNLSEUXOFWWEAE-UHFFFAOYSA-N
XLogP5.17
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.43
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one?
The IUPAC name of 2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one (CID 11416866) is 2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one.
What is the SMILES notation for 2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one?
The canonical SMILES for 2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one is CC1(C)CC(=O)c2ccc(-c3ncc(-c4cccc(F)c4)s3)nc2C1.
What is the InChIKey of 2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one?
The InChIKey is DNLSEUXOFWWEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2OS/c1-20(2)9-16-14(17(24)10-20)6-7-15(23-16)19-22-11-18(25-19)12-4-3-5-13(21)8-12/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one?
2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one has a molecular weight of 352.43 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one is sourced from PubChem (CID 11416866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).