2-(2,6-dichloro-4-pyridinyl)-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazole

C24H22Cl2N4S — CID 11634166

IUPAC2-(2,6-dichloro-4-pyridinyl)-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazole
SMILESC[C@@H]1CCCN1CCc1ccc2nc(-c3csc(-c4cc(Cl)nc(Cl)c4)n3)ccc2c1
InChIInChI=1S/C24H22Cl2N4S/c1-15-3-2-9-30(15)10-8-16-4-6-19-17(11-16)5-7-20(27-19)21-14-31-24(28-21)18-12-22(25)29-23(26)13-18/h4-7,11-15H,2-3,8-10H2,1H3/t15-/m1/s1
InChIKeyYWCCLBBMFRWYOU-OAHLLOKOSA-N
MW469.44 g/mol
LogP6.75
Rot. Bonds5

About 2-(2,6-dichloro-4-pyridinyl)-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazole

2-(2,6-dichloro-4-pyridinyl)-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazole (PubChem CID 11634166) has the molecular formula C24H22Cl2N4S and a molecular weight of 469.44 g/mol. Its IUPAC name is 2-(2,6-dichloro-4-pyridinyl)-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-(2,6-dichloro-4-pyridinyl)-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazole
PubChem CID11634166
Molecular FormulaC24H22Cl2N4S
Molecular Weight469.44 g/mol
Exact Mass468.09
IUPAC Name2-(2,6-dichloro-4-pyridinyl)-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazole
SMILESC[C@@H]1CCCN1CCc1ccc2nc(-c3csc(-c4cc(Cl)nc(Cl)c4)n3)ccc2c1
InChIInChI=1S/C24H22Cl2N4S/c1-15-3-2-9-30(15)10-8-16-4-6-19-17(11-16)5-7-20(27-19)21-14-31-24(28-21)18-12-22(25)29-23(26)13-18/h4-7,11-15H,2-3,8-10H2,1H3/t15-/m1/s1
InChIKeyYWCCLBBMFRWYOU-OAHLLOKOSA-N
XLogP6.75
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.44
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(2,6-dichloro-4-pyridinyl)-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazole?
The IUPAC name of 2-(2,6-dichloro-4-pyridinyl)-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazole (CID 11634166) is 2-(2,6-dichloro-4-pyridinyl)-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-(2,6-dichloro-4-pyridinyl)-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-(2,6-dichloro-4-pyridinyl)-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazole is C[C@@H]1CCCN1CCc1ccc2nc(-c3csc(-c4cc(Cl)nc(Cl)c4)n3)ccc2c1.
What is the InChIKey of 2-(2,6-dichloro-4-pyridinyl)-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazole?
The InChIKey is YWCCLBBMFRWYOU-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H22Cl2N4S/c1-15-3-2-9-30(15)10-8-16-4-6-19-17(11-16)5-7-20(27-19)21-14-31-24(28-21)18-12-22(25)29-23(26)13-18/h4-7,11-15H,2-3,8-10H2,1H3/t15-/m1/s1.
What are the key properties of 2-(2,6-dichloro-4-pyridinyl)-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazole?
2-(2,6-dichloro-4-pyridinyl)-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazole has a molecular weight of 469.44 g/mol, XLogP of 6.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloro-4-pyridinyl)-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazole is sourced from PubChem (CID 11634166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).