2-chloro-N-(4-fluorophenyl)sulfanyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine

C24H20ClFN4OS — CID 143915434

IUPAC2-chloro-N-(4-fluorophenyl)sulfanyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine
SMILESFc1ccc(SNc2cc(-c3ccc4nccc(N5CCOCC5)c4c3)cnc2Cl)cc1
InChIInChI=1S/C24H20ClFN4OS/c25-24-22(29-32-19-4-2-18(26)3-5-19)14-17(15-28-24)16-1-6-21-20(13-16)23(7-8-27-21)30-9-11-31-12-10-30/h1-8,13-15,29H,9-12H2
InChIKeyGSQTZGYCIADPKZ-UHFFFAOYSA-N
MW466.97 g/mol
LogP6.05
Rot. Bonds5

About 2-chloro-N-(4-fluorophenyl)sulfanyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine

2-chloro-N-(4-fluorophenyl)sulfanyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine (PubChem CID 143915434) has the molecular formula C24H20ClFN4OS and a molecular weight of 466.97 g/mol. Its IUPAC name is 2-chloro-N-(4-fluorophenyl)sulfanyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-(4-fluorophenyl)sulfanyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine
PubChem CID143915434
Molecular FormulaC24H20ClFN4OS
Molecular Weight466.97 g/mol
Exact Mass466.10
IUPAC Name2-chloro-N-(4-fluorophenyl)sulfanyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine
SMILESFc1ccc(SNc2cc(-c3ccc4nccc(N5CCOCC5)c4c3)cnc2Cl)cc1
InChIInChI=1S/C24H20ClFN4OS/c25-24-22(29-32-19-4-2-18(26)3-5-19)14-17(15-28-24)16-1-6-21-20(13-16)23(7-8-27-21)30-9-11-31-12-10-30/h1-8,13-15,29H,9-12H2
InChIKeyGSQTZGYCIADPKZ-UHFFFAOYSA-N
XLogP6.05
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.97
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-fluorophenyl)sulfanyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine?
The IUPAC name of 2-chloro-N-(4-fluorophenyl)sulfanyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine (CID 143915434) is 2-chloro-N-(4-fluorophenyl)sulfanyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-N-(4-fluorophenyl)sulfanyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine?
The canonical SMILES for 2-chloro-N-(4-fluorophenyl)sulfanyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine is Fc1ccc(SNc2cc(-c3ccc4nccc(N5CCOCC5)c4c3)cnc2Cl)cc1.
What is the InChIKey of 2-chloro-N-(4-fluorophenyl)sulfanyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine?
The InChIKey is GSQTZGYCIADPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4OS/c25-24-22(29-32-19-4-2-18(26)3-5-19)14-17(15-28-24)16-1-6-21-20(13-16)23(7-8-27-21)30-9-11-31-12-10-30/h1-8,13-15,29H,9-12H2.
What are the key properties of 2-chloro-N-(4-fluorophenyl)sulfanyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine?
2-chloro-N-(4-fluorophenyl)sulfanyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine has a molecular weight of 466.97 g/mol, XLogP of 6.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-fluorophenyl)sulfanyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine is sourced from PubChem (CID 143915434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).