1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]-5-methylpiperidine-3-carboxylic acid

C18H21FN2O3 — CID 122106442

IUPAC1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]-5-methylpiperidine-3-carboxylic acid
SMILESCOCc1cc(N2CC(C)CC(C(=O)O)C2)c2cc(F)ccc2n1
InChIInChI=1S/C18H21FN2O3/c1-11-5-12(18(22)23)9-21(8-11)17-7-14(10-24-2)20-16-4-3-13(19)6-15(16)17/h3-4,6-7,11-12H,5,8-10H2,1-2H3,(H,22,23)
InChIKeyBMPNHVVOQDCNEZ-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.07
Rot. Bonds4

About 1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]-5-methylpiperidine-3-carboxylic acid

1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122106442) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122106442
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]-5-methylpiperidine-3-carboxylic acid
SMILESCOCc1cc(N2CC(C)CC(C(=O)O)C2)c2cc(F)ccc2n1
InChIInChI=1S/C18H21FN2O3/c1-11-5-12(18(22)23)9-21(8-11)17-7-14(10-24-2)20-16-4-3-13(19)6-15(16)17/h3-4,6-7,11-12H,5,8-10H2,1-2H3,(H,22,23)
InChIKeyBMPNHVVOQDCNEZ-UHFFFAOYSA-N
XLogP3.07
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]-5-methylpiperidine-3-carboxylic acid (CID 122106442) is 1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]-5-methylpiperidine-3-carboxylic acid is COCc1cc(N2CC(C)CC(C(=O)O)C2)c2cc(F)ccc2n1.
What is the InChIKey of 1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is BMPNHVVOQDCNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-11-5-12(18(22)23)9-21(8-11)17-7-14(10-24-2)20-16-4-3-13(19)6-15(16)17/h3-4,6-7,11-12H,5,8-10H2,1-2H3,(H,22,23).
What are the key properties of 1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]-5-methylpiperidine-3-carboxylic acid?
1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 332.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-fluoro-2-(methoxymethyl)quinolin-4-yl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122106442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).