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

C25H20FN3OS — CID 11166285

IUPAC2-[5-(3-fluoro-5-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one
SMILESCC1(C)CC(=O)c2ccc(-c3ncc(-c4cc(F)cc(-c5ccccn5)c4)s3)nc2C1
InChIInChI=1S/C25H20FN3OS/c1-25(2)12-21-18(22(30)13-25)6-7-20(29-21)24-28-14-23(31-24)16-9-15(10-17(26)11-16)19-5-3-4-8-27-19/h3-11,14H,12-13H2,1-2H3
InChIKeyDIPJGCBBIKDLRF-UHFFFAOYSA-N
MW429.52 g/mol
LogP6.23
Rot. Bonds3

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

2-[5-(3-fluoro-5-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one (PubChem CID 11166285) has the molecular formula C25H20FN3OS and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-[5-(3-fluoro-5-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one.

Molecular Properties

Compound Name2-[5-(3-fluoro-5-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one
PubChem CID11166285
Molecular FormulaC25H20FN3OS
Molecular Weight429.52 g/mol
Exact Mass429.13
IUPAC Name2-[5-(3-fluoro-5-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one
SMILESCC1(C)CC(=O)c2ccc(-c3ncc(-c4cc(F)cc(-c5ccccn5)c4)s3)nc2C1
InChIInChI=1S/C25H20FN3OS/c1-25(2)12-21-18(22(30)13-25)6-7-20(29-21)24-28-14-23(31-24)16-9-15(10-17(26)11-16)19-5-3-4-8-27-19/h3-11,14H,12-13H2,1-2H3
InChIKeyDIPJGCBBIKDLRF-UHFFFAOYSA-N
XLogP6.23
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[5-(3-fluoro-5-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one with MolForge

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Launch Full Analysis

Related Compounds

N-ethyl-N-methyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 57397762
N,N-dimethyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 57399429
N-((5-fluoro-1-(2-methyl-4-phenylthiazole-5-carbonyl)piperidin-2-yl)methyl)quinoline-8-carboxamide
CID 71715220
[3-Amino-4-(3-pyridinyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl](4-fluorophenyl)methanone
CID 1215687
2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
CID 11151481
2-[5-(3-Fluoro-5-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one
CID 11166286
2-[5-(3-fluoro-5-pyridin-3-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
CID 11177087
2-[5-(3-fluoro-5-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
CID 11177263
2-[5-(3-Fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one
CID 11201441
2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
CID 11244649
2-[5-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
CID 11258354
2-[5-(3-fluoro-5-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
CID 11292543

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluoro-5-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one?
The IUPAC name of 2-[5-(3-fluoro-5-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one (CID 11166285) is 2-[5-(3-fluoro-5-pyridin-2-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-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one?
The canonical SMILES for 2-[5-(3-fluoro-5-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one is CC1(C)CC(=O)c2ccc(-c3ncc(-c4cc(F)cc(-c5ccccn5)c4)s3)nc2C1.
What is the InChIKey of 2-[5-(3-fluoro-5-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one?
The InChIKey is DIPJGCBBIKDLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3OS/c1-25(2)12-21-18(22(30)13-25)6-7-20(29-21)24-28-14-23(31-24)16-9-15(10-17(26)11-16)19-5-3-4-8-27-19/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 2-[5-(3-fluoro-5-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one?
2-[5-(3-fluoro-5-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one has a molecular weight of 429.52 g/mol, XLogP of 6.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluoro-5-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one is sourced from PubChem (CID 11166285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).