1-[6-(3-fluoro-4-propan-2-yloxyphenyl)quinolin-2-yl]piperidine-4-carboxylic acid

C24H25FN2O3 — CID 156558578

IUPAC1-[6-(3-fluoro-4-propan-2-yloxyphenyl)quinolin-2-yl]piperidine-4-carboxylic acid
SMILESCC(C)Oc1ccc(-c2ccc3nc(N4CCC(C(=O)O)CC4)ccc3c2)cc1F
InChIInChI=1S/C24H25FN2O3/c1-15(2)30-22-7-4-18(14-20(22)25)17-3-6-21-19(13-17)5-8-23(26-21)27-11-9-16(10-12-27)24(28)29/h3-8,13-16H,9-12H2,1-2H3,(H,28,29)
InChIKeyZYNTZFDUSSTPBL-UHFFFAOYSA-N
MW408.47 g/mol
LogP5.13
Rot. Bonds5

About 1-[6-(3-fluoro-4-propan-2-yloxyphenyl)quinolin-2-yl]piperidine-4-carboxylic acid

1-[6-(3-fluoro-4-propan-2-yloxyphenyl)quinolin-2-yl]piperidine-4-carboxylic acid (PubChem CID 156558578) has the molecular formula C24H25FN2O3 and a molecular weight of 408.47 g/mol. Its IUPAC name is 1-[6-(3-fluoro-4-propan-2-yloxyphenyl)quinolin-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-(3-fluoro-4-propan-2-yloxyphenyl)quinolin-2-yl]piperidine-4-carboxylic acid
PubChem CID156558578
Molecular FormulaC24H25FN2O3
Molecular Weight408.47 g/mol
Exact Mass408.18
IUPAC Name1-[6-(3-fluoro-4-propan-2-yloxyphenyl)quinolin-2-yl]piperidine-4-carboxylic acid
SMILESCC(C)Oc1ccc(-c2ccc3nc(N4CCC(C(=O)O)CC4)ccc3c2)cc1F
InChIInChI=1S/C24H25FN2O3/c1-15(2)30-22-7-4-18(14-20(22)25)17-3-6-21-19(13-17)5-8-23(26-21)27-11-9-16(10-12-27)24(28)29/h3-8,13-16H,9-12H2,1-2H3,(H,28,29)
InChIKeyZYNTZFDUSSTPBL-UHFFFAOYSA-N
XLogP5.13
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.47
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-fluoro-4-propan-2-yloxyphenyl)quinolin-2-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[6-(3-fluoro-4-propan-2-yloxyphenyl)quinolin-2-yl]piperidine-4-carboxylic acid (CID 156558578) is 1-[6-(3-fluoro-4-propan-2-yloxyphenyl)quinolin-2-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[6-(3-fluoro-4-propan-2-yloxyphenyl)quinolin-2-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[6-(3-fluoro-4-propan-2-yloxyphenyl)quinolin-2-yl]piperidine-4-carboxylic acid is CC(C)Oc1ccc(-c2ccc3nc(N4CCC(C(=O)O)CC4)ccc3c2)cc1F.
What is the InChIKey of 1-[6-(3-fluoro-4-propan-2-yloxyphenyl)quinolin-2-yl]piperidine-4-carboxylic acid?
The InChIKey is ZYNTZFDUSSTPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3/c1-15(2)30-22-7-4-18(14-20(22)25)17-3-6-21-19(13-17)5-8-23(26-21)27-11-9-16(10-12-27)24(28)29/h3-8,13-16H,9-12H2,1-2H3,(H,28,29).
What are the key properties of 1-[6-(3-fluoro-4-propan-2-yloxyphenyl)quinolin-2-yl]piperidine-4-carboxylic acid?
1-[6-(3-fluoro-4-propan-2-yloxyphenyl)quinolin-2-yl]piperidine-4-carboxylic acid has a molecular weight of 408.47 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-fluoro-4-propan-2-yloxyphenyl)quinolin-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 156558578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).