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

C22H25N3O — CID 10450377

IUPAC6-(6-methoxy-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
SMILESCOc1ccc(-c2ccc3nc(CCN4CCC[C@H]4C)ccc3c2)cn1
InChIInChI=1S/C22H25N3O/c1-16-4-3-12-25(16)13-11-20-8-5-18-14-17(6-9-21(18)24-20)19-7-10-22(26-2)23-15-19/h5-10,14-16H,3-4,11-13H2,1-2H3/t16-/m1/s1
InChIKeyIBNWYKBNUMZYMP-MRXNPFEDSA-N
MW347.46 g/mol
LogP4.33
Rot. Bonds5

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

6-(6-methoxy-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline (PubChem CID 10450377) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 6-(6-methoxy-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline.

Molecular Properties

Compound Name6-(6-methoxy-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
PubChem CID10450377
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name6-(6-methoxy-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
SMILESCOc1ccc(-c2ccc3nc(CCN4CCC[C@H]4C)ccc3c2)cn1
InChIInChI=1S/C22H25N3O/c1-16-4-3-12-25(16)13-11-20-8-5-18-14-17(6-9-21(18)24-20)19-7-10-22(26-2)23-15-19/h5-10,14-16H,3-4,11-13H2,1-2H3/t16-/m1/s1
InChIKeyIBNWYKBNUMZYMP-MRXNPFEDSA-N
XLogP4.33
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The IUPAC name of 6-(6-methoxy-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline (CID 10450377) is 6-(6-methoxy-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline.
What is the SMILES notation for 6-(6-methoxy-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The canonical SMILES for 6-(6-methoxy-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline is COc1ccc(-c2ccc3nc(CCN4CCC[C@H]4C)ccc3c2)cn1.
What is the InChIKey of 6-(6-methoxy-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The InChIKey is IBNWYKBNUMZYMP-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-4-3-12-25(16)13-11-20-8-5-18-14-17(6-9-21(18)24-20)19-7-10-22(26-2)23-15-19/h5-10,14-16H,3-4,11-13H2,1-2H3/t16-/m1/s1.
What are the key properties of 6-(6-methoxy-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
6-(6-methoxy-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline has a molecular weight of 347.46 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-3-pyridinyl)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline is sourced from PubChem (CID 10450377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).