2-(2-methoxypyrimidin-5-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline

C21H24N4O — CID 46890430

IUPAC2-(2-methoxypyrimidin-5-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
SMILESCOc1ncc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cn1
InChIInChI=1S/C21H24N4O/c1-15-4-3-10-25(15)11-9-16-5-7-19-17(12-16)6-8-20(24-19)18-13-22-21(26-2)23-14-18/h5-8,12-15H,3-4,9-11H2,1-2H3/t15-/m1/s1
InChIKeySRXOZHFYOQRTMB-OAHLLOKOSA-N
MW348.45 g/mol
LogP3.73
Rot. Bonds5

About 2-(2-methoxypyrimidin-5-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline

2-(2-methoxypyrimidin-5-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline (PubChem CID 46890430) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(2-methoxypyrimidin-5-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline.

Molecular Properties

Compound Name2-(2-methoxypyrimidin-5-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
PubChem CID46890430
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-(2-methoxypyrimidin-5-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
SMILESCOc1ncc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cn1
InChIInChI=1S/C21H24N4O/c1-15-4-3-10-25(15)11-9-16-5-7-19-17(12-16)6-8-20(24-19)18-13-22-21(26-2)23-14-18/h5-8,12-15H,3-4,9-11H2,1-2H3/t15-/m1/s1
InChIKeySRXOZHFYOQRTMB-OAHLLOKOSA-N
XLogP3.73
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypyrimidin-5-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The IUPAC name of 2-(2-methoxypyrimidin-5-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline (CID 46890430) is 2-(2-methoxypyrimidin-5-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline.
What is the SMILES notation for 2-(2-methoxypyrimidin-5-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The canonical SMILES for 2-(2-methoxypyrimidin-5-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline is COc1ncc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cn1.
What is the InChIKey of 2-(2-methoxypyrimidin-5-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The InChIKey is SRXOZHFYOQRTMB-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-4-3-10-25(15)11-9-16-5-7-19-17(12-16)6-8-20(24-19)18-13-22-21(26-2)23-14-18/h5-8,12-15H,3-4,9-11H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-(2-methoxypyrimidin-5-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
2-(2-methoxypyrimidin-5-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline has a molecular weight of 348.45 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypyrimidin-5-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline is sourced from PubChem (CID 46890430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).