(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'}

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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).