5-methoxy-4-[[(2R)-pyrrolidin-2-yl]methyl]quinoline

C15H18N2O — CID 178091331

IUPAC5-methoxy-4-[[(2R)-pyrrolidin-2-yl]methyl]quinoline
SMILESCOc1cccc2nccc(C[C@H]3CCCN3)c12
InChIInChI=1S/C15H18N2O/c1-18-14-6-2-5-13-15(14)11(7-9-17-13)10-12-4-3-8-16-12/h2,5-7,9,12,16H,3-4,8,10H2,1H3/t12-/m1/s1
InChIKeyVNXUMVVFLOKQQE-GFCCVEGCSA-N
MW242.32 g/mol
LogP2.54
Rot. Bonds3

About 5-methoxy-4-[[(2R)-pyrrolidin-2-yl]methyl]quinoline

5-methoxy-4-[[(2R)-pyrrolidin-2-yl]methyl]quinoline (PubChem CID 178091331) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-methoxy-4-[[(2R)-pyrrolidin-2-yl]methyl]quinoline.

Molecular Properties

Compound Name5-methoxy-4-[[(2R)-pyrrolidin-2-yl]methyl]quinoline
PubChem CID178091331
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name5-methoxy-4-[[(2R)-pyrrolidin-2-yl]methyl]quinoline
SMILESCOc1cccc2nccc(C[C@H]3CCCN3)c12
InChIInChI=1S/C15H18N2O/c1-18-14-6-2-5-13-15(14)11(7-9-17-13)10-12-4-3-8-16-12/h2,5-7,9,12,16H,3-4,8,10H2,1H3/t12-/m1/s1
InChIKeyVNXUMVVFLOKQQE-GFCCVEGCSA-N
XLogP2.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine
CID 117371410
3-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117296060
2-[(2-methoxy-6-methylphenyl)methyl]pyrrolidine
CID 84778649
2-[2-(2,3-dimethoxyphenoxy)ethyl]piperidine
CID 112500840
2-[(3-methoxy-2-methylsulfonylphenyl)methyl]piperidine
CID 117455721
3-methoxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 83833834
2-[[3-methoxy-2-(oxan-4-yloxy)phenyl]methyl]piperidine
CID 117490817
2-[(2,3,6-trimethoxyphenyl)methyl]piperidine
CID 117417665
4-[2-[(3S)-3-(difluoromethoxy)pyrrolidin-1-yl]ethyl]-5-methoxyquinoline
CID 178091447
4-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 114765024
2-methoxy-3-(pyrrolidin-2-ylmethoxy)pyridine
CID 122208651
3-methoxy-2-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117316525

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[[(2R)-pyrrolidin-2-yl]methyl]quinoline?
The IUPAC name of 5-methoxy-4-[[(2R)-pyrrolidin-2-yl]methyl]quinoline (CID 178091331) is 5-methoxy-4-[[(2R)-pyrrolidin-2-yl]methyl]quinoline.
What is the SMILES notation for 5-methoxy-4-[[(2R)-pyrrolidin-2-yl]methyl]quinoline?
The canonical SMILES for 5-methoxy-4-[[(2R)-pyrrolidin-2-yl]methyl]quinoline is COc1cccc2nccc(C[C@H]3CCCN3)c12.
What is the InChIKey of 5-methoxy-4-[[(2R)-pyrrolidin-2-yl]methyl]quinoline?
The InChIKey is VNXUMVVFLOKQQE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N2O/c1-18-14-6-2-5-13-15(14)11(7-9-17-13)10-12-4-3-8-16-12/h2,5-7,9,12,16H,3-4,8,10H2,1H3/t12-/m1/s1.
What are the key properties of 5-methoxy-4-[[(2R)-pyrrolidin-2-yl]methyl]quinoline?
5-methoxy-4-[[(2R)-pyrrolidin-2-yl]methyl]quinoline has a molecular weight of 242.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[[(2R)-pyrrolidin-2-yl]methyl]quinoline is sourced from PubChem (CID 178091331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).