2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid

C16H18N2O3 — CID 64599168

IUPAC2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid
SMILESCOCC1CCN(c2nc3ccccc3cc2C(=O)O)C1
InChIInChI=1S/C16H18N2O3/c1-21-10-11-6-7-18(9-11)15-13(16(19)20)8-12-4-2-3-5-14(12)17-15/h2-5,8,11H,6-7,9-10H2,1H3,(H,19,20)
InChIKeyKBWWMRQEHIARKC-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.41
Rot. Bonds4

About 2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid

2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid (PubChem CID 64599168) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid
PubChem CID64599168
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid
SMILESCOCC1CCN(c2nc3ccccc3cc2C(=O)O)C1
InChIInChI=1S/C16H18N2O3/c1-21-10-11-6-7-18(9-11)15-13(16(19)20)8-12-4-2-3-5-14(12)17-15/h2-5,8,11H,6-7,9-10H2,1H3,(H,19,20)
InChIKeyKBWWMRQEHIARKC-UHFFFAOYSA-N
XLogP2.41
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid?
The IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid (CID 64599168) is 2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid.
What is the SMILES notation for 2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid?
The canonical SMILES for 2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid is COCC1CCN(c2nc3ccccc3cc2C(=O)O)C1.
What is the InChIKey of 2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid?
The InChIKey is KBWWMRQEHIARKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-21-10-11-6-7-18(9-11)15-13(16(19)20)8-12-4-2-3-5-14(12)17-15/h2-5,8,11H,6-7,9-10H2,1H3,(H,19,20).
What are the key properties of 2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid?
2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid is sourced from PubChem (CID 64599168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).