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

C23H27N3 — CID 10450279

IUPAC2-(2,6-dimethyl-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
SMILESCc1ccc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)c(C)n1
InChIInChI=1S/C23H27N3/c1-16-6-9-21(18(3)24-16)23-11-8-20-15-19(7-10-22(20)25-23)12-14-26-13-4-5-17(26)2/h6-11,15,17H,4-5,12-14H2,1-3H3/t17-/m1/s1
InChIKeyJOIFHKHDGMJBSY-QGZVFWFLSA-N
MW345.49 g/mol
LogP4.94
Rot. Bonds4

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

2-(2,6-dimethyl-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline (PubChem CID 10450279) has the molecular formula C23H27N3 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-(2,6-dimethyl-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline.

Molecular Properties

Compound Name2-(2,6-dimethyl-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
PubChem CID10450279
Molecular FormulaC23H27N3
Molecular Weight345.49 g/mol
Exact Mass345.22
IUPAC Name2-(2,6-dimethyl-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
SMILESCc1ccc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)c(C)n1
InChIInChI=1S/C23H27N3/c1-16-6-9-21(18(3)24-16)23-11-8-20-15-19(7-10-22(20)25-23)12-14-26-13-4-5-17(26)2/h6-11,15,17H,4-5,12-14H2,1-3H3/t17-/m1/s1
InChIKeyJOIFHKHDGMJBSY-QGZVFWFLSA-N
XLogP4.94
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The IUPAC name of 2-(2,6-dimethyl-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline (CID 10450279) is 2-(2,6-dimethyl-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline.
What is the SMILES notation for 2-(2,6-dimethyl-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The canonical SMILES for 2-(2,6-dimethyl-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline is Cc1ccc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)c(C)n1.
What is the InChIKey of 2-(2,6-dimethyl-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The InChIKey is JOIFHKHDGMJBSY-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H27N3/c1-16-6-9-21(18(3)24-16)23-11-8-20-15-19(7-10-22(20)25-23)12-14-26-13-4-5-17(26)2/h6-11,15,17H,4-5,12-14H2,1-3H3/t17-/m1/s1.
What are the key properties of 2-(2,6-dimethyl-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
2-(2,6-dimethyl-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline has a molecular weight of 345.49 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-3-pyridinyl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline is sourced from PubChem (CID 10450279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).