(2-chloro-7-fluoroquinolin-3-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C18H15ClFN3OS — CID 110308220

IUPAC(2-chloro-7-fluoroquinolin-3-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc2ccc(F)cc2nc1Cl)N1CCC(c2nccs2)CC1
InChIInChI=1S/C18H15ClFN3OS/c19-16-14(9-12-1-2-13(20)10-15(12)22-16)18(24)23-6-3-11(4-7-23)17-21-5-8-25-17/h1-2,5,8-11H,3-4,6-7H2
InChIKeyXWNFZUCEWDDSDS-UHFFFAOYSA-N
MW375.86 g/mol
LogP4.50
Rot. Bonds2

About (2-chloro-7-fluoroquinolin-3-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

(2-chloro-7-fluoroquinolin-3-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 110308220) has the molecular formula C18H15ClFN3OS and a molecular weight of 375.86 g/mol. Its IUPAC name is (2-chloro-7-fluoroquinolin-3-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-7-fluoroquinolin-3-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID110308220
Molecular FormulaC18H15ClFN3OS
Molecular Weight375.86 g/mol
Exact Mass375.06
IUPAC Name(2-chloro-7-fluoroquinolin-3-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc2ccc(F)cc2nc1Cl)N1CCC(c2nccs2)CC1
InChIInChI=1S/C18H15ClFN3OS/c19-16-14(9-12-1-2-13(20)10-15(12)22-16)18(24)23-6-3-11(4-7-23)17-21-5-8-25-17/h1-2,5,8-11H,3-4,6-7H2
InChIKeyXWNFZUCEWDDSDS-UHFFFAOYSA-N
XLogP4.50
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2-chloro-7-fluoroquinolin-3-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-chloro-7-fluoroquinoline-3-carbonyl)piperazin-1-yl]ethanone
CID 110299106
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110289798
ethyl 4-(2-chloro-7-fluoroquinoline-3-carbonyl)piperazine-1-carboxylate
CID 110299144
(2-chloro-6-fluorophenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110289794
(2-chloro-7-fluoroquinolin-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110311477
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 110289749
(7-fluoro-2-methylquinolin-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 78838342
(5-bromo-2-methoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110628740
2-(4-fluorophenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 110313552
cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 71692447
(3,5-dimethoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110289762
(5-fluoro-1H-indol-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 127247628

Frequently Asked Questions

What is the IUPAC name of (2-chloro-7-fluoroquinolin-3-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-chloro-7-fluoroquinolin-3-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 110308220) is (2-chloro-7-fluoroquinolin-3-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-7-fluoroquinolin-3-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-chloro-7-fluoroquinolin-3-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is O=C(c1cc2ccc(F)cc2nc1Cl)N1CCC(c2nccs2)CC1.
What is the InChIKey of (2-chloro-7-fluoroquinolin-3-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is XWNFZUCEWDDSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3OS/c19-16-14(9-12-1-2-13(20)10-15(12)22-16)18(24)23-6-3-11(4-7-23)17-21-5-8-25-17/h1-2,5,8-11H,3-4,6-7H2.
What are the key properties of (2-chloro-7-fluoroquinolin-3-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
(2-chloro-7-fluoroquinolin-3-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 375.86 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-7-fluoroquinolin-3-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110308220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).