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

C22H25N3 — CID 25156194

IUPAC2-(6-methyl-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
SMILESCc1ccc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cn1
InChIInChI=1S/C22H25N3/c1-16-5-7-20(15-23-16)22-10-8-19-14-18(6-9-21(19)24-22)11-13-25-12-3-4-17(25)2/h5-10,14-15,17H,3-4,11-13H2,1-2H3/t17-/m1/s1
InChIKeyODNFIZWBPRWOLE-QGZVFWFLSA-N
MW331.46 g/mol
LogP4.63
Rot. Bonds4

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

2-(6-methyl-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline (PubChem CID 25156194) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-(6-methyl-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline.

Molecular Properties

Compound Name2-(6-methyl-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
PubChem CID25156194
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC Name2-(6-methyl-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
SMILESCc1ccc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cn1
InChIInChI=1S/C22H25N3/c1-16-5-7-20(15-23-16)22-10-8-19-14-18(6-9-21(19)24-22)11-13-25-12-3-4-17(25)2/h5-10,14-15,17H,3-4,11-13H2,1-2H3/t17-/m1/s1
InChIKeyODNFIZWBPRWOLE-QGZVFWFLSA-N
XLogP4.63
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The IUPAC name of 2-(6-methyl-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline (CID 25156194) is 2-(6-methyl-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline.
What is the SMILES notation for 2-(6-methyl-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The canonical SMILES for 2-(6-methyl-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline is Cc1ccc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cn1.
What is the InChIKey of 2-(6-methyl-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The InChIKey is ODNFIZWBPRWOLE-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25N3/c1-16-5-7-20(15-23-16)22-10-8-19-14-18(6-9-21(19)24-22)11-13-25-12-3-4-17(25)2/h5-10,14-15,17H,3-4,11-13H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-(6-methyl-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
2-(6-methyl-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline has a molecular weight of 331.46 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline is sourced from PubChem (CID 25156194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).