2-(6-chloro-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline

C21H22ClN3 — CID 25156478

IUPAC2-(6-chloro-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
SMILESC[C@@H]1CCCN1CCc1ccc2nc(-c3ccc(Cl)nc3)ccc2c1
InChIInChI=1S/C21H22ClN3/c1-15-3-2-11-25(15)12-10-16-4-7-19-17(13-16)5-8-20(24-19)18-6-9-21(22)23-14-18/h4-9,13-15H,2-3,10-12H2,1H3/t15-/m1/s1
InChIKeyIVVRZZSSLSFZID-OAHLLOKOSA-N
MW351.88 g/mol
LogP4.98
Rot. Bonds4

About 2-(6-chloro-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline

2-(6-chloro-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline (PubChem CID 25156478) has the molecular formula C21H22ClN3 and a molecular weight of 351.88 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
PubChem CID25156478
Molecular FormulaC21H22ClN3
Molecular Weight351.88 g/mol
Exact Mass351.15
IUPAC Name2-(6-chloro-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
SMILESC[C@@H]1CCCN1CCc1ccc2nc(-c3ccc(Cl)nc3)ccc2c1
InChIInChI=1S/C21H22ClN3/c1-15-3-2-11-25(15)12-10-16-4-7-19-17(13-16)5-8-20(24-19)18-6-9-21(22)23-14-18/h4-9,13-15H,2-3,10-12H2,1H3/t15-/m1/s1
InChIKeyIVVRZZSSLSFZID-OAHLLOKOSA-N
XLogP4.98
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(6-chloro-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The IUPAC name of 2-(6-chloro-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline (CID 25156478) is 2-(6-chloro-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline is C[C@@H]1CCCN1CCc1ccc2nc(-c3ccc(Cl)nc3)ccc2c1.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The InChIKey is IVVRZZSSLSFZID-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22ClN3/c1-15-3-2-11-25(15)12-10-16-4-7-19-17(13-16)5-8-20(24-19)18-6-9-21(22)23-14-18/h4-9,13-15H,2-3,10-12H2,1H3/t15-/m1/s1.
What are the key properties of 2-(6-chloro-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
2-(6-chloro-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline has a molecular weight of 351.88 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline is sourced from PubChem (CID 25156478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).