methyl 6-(3-hydroxypyrrolidin-1-yl)quinoline-4-carboxylate

C15H16N2O3 — CID 167118448

IUPACmethyl 6-(3-hydroxypyrrolidin-1-yl)quinoline-4-carboxylate
SMILESCOC(=O)c1ccnc2ccc(N3CCC(O)C3)cc12
InChIInChI=1S/C15H16N2O3/c1-20-15(19)12-4-6-16-14-3-2-10(8-13(12)14)17-7-5-11(18)9-17/h2-4,6,8,11,18H,5,7,9H2,1H3
InChIKeyPCFXOUBHBOOXFB-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.59
Rot. Bonds2

About methyl 6-(3-hydroxypyrrolidin-1-yl)quinoline-4-carboxylate

methyl 6-(3-hydroxypyrrolidin-1-yl)quinoline-4-carboxylate (PubChem CID 167118448) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 6-(3-hydroxypyrrolidin-1-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-hydroxypyrrolidin-1-yl)quinoline-4-carboxylate
PubChem CID167118448
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namemethyl 6-(3-hydroxypyrrolidin-1-yl)quinoline-4-carboxylate
SMILESCOC(=O)c1ccnc2ccc(N3CCC(O)C3)cc12
InChIInChI=1S/C15H16N2O3/c1-20-15(19)12-4-6-16-14-3-2-10(8-13(12)14)17-7-5-11(18)9-17/h2-4,6,8,11,18H,5,7,9H2,1H3
InChIKeyPCFXOUBHBOOXFB-UHFFFAOYSA-N
XLogP1.59
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-hydroxypyrrolidin-1-yl)quinoline-4-carboxylate?
The IUPAC name of methyl 6-(3-hydroxypyrrolidin-1-yl)quinoline-4-carboxylate (CID 167118448) is methyl 6-(3-hydroxypyrrolidin-1-yl)quinoline-4-carboxylate.
What is the SMILES notation for methyl 6-(3-hydroxypyrrolidin-1-yl)quinoline-4-carboxylate?
The canonical SMILES for methyl 6-(3-hydroxypyrrolidin-1-yl)quinoline-4-carboxylate is COC(=O)c1ccnc2ccc(N3CCC(O)C3)cc12.
What is the InChIKey of methyl 6-(3-hydroxypyrrolidin-1-yl)quinoline-4-carboxylate?
The InChIKey is PCFXOUBHBOOXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-20-15(19)12-4-6-16-14-3-2-10(8-13(12)14)17-7-5-11(18)9-17/h2-4,6,8,11,18H,5,7,9H2,1H3.
What are the key properties of methyl 6-(3-hydroxypyrrolidin-1-yl)quinoline-4-carboxylate?
methyl 6-(3-hydroxypyrrolidin-1-yl)quinoline-4-carboxylate has a molecular weight of 272.30 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-hydroxypyrrolidin-1-yl)quinoline-4-carboxylate is sourced from PubChem (CID 167118448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).