[(2S)-1-methylpyrrolidin-2-yl]methyl quinoline-3-carboxylate

C16H18N2O2 — CID 73347339

IUPAC[(2S)-1-methylpyrrolidin-2-yl]methyl quinoline-3-carboxylate
SMILESCN1CCC[C@H]1COC(=O)c1cnc2ccccc2c1
InChIInChI=1S/C16H18N2O2/c1-18-8-4-6-14(18)11-20-16(19)13-9-12-5-2-3-7-15(12)17-10-13/h2-3,5,7,9-10,14H,4,6,8,11H2,1H3/t14-/m0/s1
InChIKeyTYTHSTLCRVNEAN-AWEZNQCLSA-N
MW270.33 g/mol
LogP2.49
Rot. Bonds3

About [(2S)-1-methylpyrrolidin-2-yl]methyl quinoline-3-carboxylate

[(2S)-1-methylpyrrolidin-2-yl]methyl quinoline-3-carboxylate (PubChem CID 73347339) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is [(2S)-1-methylpyrrolidin-2-yl]methyl quinoline-3-carboxylate.

Molecular Properties

Compound Name[(2S)-1-methylpyrrolidin-2-yl]methyl quinoline-3-carboxylate
PubChem CID73347339
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name[(2S)-1-methylpyrrolidin-2-yl]methyl quinoline-3-carboxylate
SMILESCN1CCC[C@H]1COC(=O)c1cnc2ccccc2c1
InChIInChI=1S/C16H18N2O2/c1-18-8-4-6-14(18)11-20-16(19)13-9-12-5-2-3-7-15(12)17-10-13/h2-3,5,7,9-10,14H,4,6,8,11H2,1H3/t14-/m0/s1
InChIKeyTYTHSTLCRVNEAN-AWEZNQCLSA-N
XLogP2.49
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-methylpyrrolidin-2-yl]methyl quinoline-3-carboxylate?
The IUPAC name of [(2S)-1-methylpyrrolidin-2-yl]methyl quinoline-3-carboxylate (CID 73347339) is [(2S)-1-methylpyrrolidin-2-yl]methyl quinoline-3-carboxylate.
What is the SMILES notation for [(2S)-1-methylpyrrolidin-2-yl]methyl quinoline-3-carboxylate?
The canonical SMILES for [(2S)-1-methylpyrrolidin-2-yl]methyl quinoline-3-carboxylate is CN1CCC[C@H]1COC(=O)c1cnc2ccccc2c1.
What is the InChIKey of [(2S)-1-methylpyrrolidin-2-yl]methyl quinoline-3-carboxylate?
The InChIKey is TYTHSTLCRVNEAN-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-18-8-4-6-14(18)11-20-16(19)13-9-12-5-2-3-7-15(12)17-10-13/h2-3,5,7,9-10,14H,4,6,8,11H2,1H3/t14-/m0/s1.
What are the key properties of [(2S)-1-methylpyrrolidin-2-yl]methyl quinoline-3-carboxylate?
[(2S)-1-methylpyrrolidin-2-yl]methyl quinoline-3-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-methylpyrrolidin-2-yl]methyl quinoline-3-carboxylate is sourced from PubChem (CID 73347339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).