6-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyquinoline-7-carboxylic acid

C20H23FN2O5 — CID 126573691

IUPAC6-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyquinoline-7-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCC(Oc2ccnc3cc(C(=O)O)c(F)cc23)C1
InChIInChI=1S/C20H23FN2O5/c1-20(2,3)28-19(26)23-8-4-5-12(11-23)27-17-6-7-22-16-10-13(18(24)25)15(21)9-14(16)17/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,24,25)
InChIKeyXGUWNYVQGJHKDK-UHFFFAOYSA-N
MW390.41 g/mol
LogP3.85
Rot. Bonds3

About 6-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyquinoline-7-carboxylic acid

6-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyquinoline-7-carboxylic acid (PubChem CID 126573691) has the molecular formula C20H23FN2O5 and a molecular weight of 390.41 g/mol. Its IUPAC name is 6-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyquinoline-7-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyquinoline-7-carboxylic acid
PubChem CID126573691
Molecular FormulaC20H23FN2O5
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name6-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyquinoline-7-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCC(Oc2ccnc3cc(C(=O)O)c(F)cc23)C1
InChIInChI=1S/C20H23FN2O5/c1-20(2,3)28-19(26)23-8-4-5-12(11-23)27-17-6-7-22-16-10-13(18(24)25)15(21)9-14(16)17/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,24,25)
InChIKeyXGUWNYVQGJHKDK-UHFFFAOYSA-N
XLogP3.85
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate
CID 126573698
tert-butyl 3-(7-formyl-6-hydroxyquinolin-4-yl)oxypiperidine-1-carboxylate
CID 126598466
tert-butyl (3R)-3-[[4-(difluoromethoxy)-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 144697957
tert-butyl 4-(6-methylquinolin-4-yl)oxypiperidine-1-carboxylate
CID 143199953
tert-butyl 3-[2-cyclopropyl-5-fluoro-4-(methylsulfonylcarbamoyl)phenoxy]piperidine-1-carboxylate
CID 118353665
tert-butyl 3-isoquinolin-1-yloxypiperidine-1-carboxylate
CID 118114502
tert-butyl (3R)-3-pyridin-2-yloxypiperidine-1-carboxylate
CID 71630688
tert-butyl (3R)-3-[(3-hydroxy-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71630690
tert-butyl 3-(3-amino-5-fluorophenoxy)piperidine-1-carboxylate
CID 57433448
tert-butyl (3S)-3-(2-bromophenoxy)piperidine-1-carboxylate
CID 69433067
tert-butyl (3S)-3-(3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 71634822
tert-butyl 3-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxylate
CID 24902462

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyquinoline-7-carboxylic acid?
The IUPAC name of 6-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyquinoline-7-carboxylic acid (CID 126573691) is 6-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyquinoline-7-carboxylic acid.
What is the SMILES notation for 6-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyquinoline-7-carboxylic acid?
The canonical SMILES for 6-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyquinoline-7-carboxylic acid is CC(C)(C)OC(=O)N1CCCC(Oc2ccnc3cc(C(=O)O)c(F)cc23)C1.
What is the InChIKey of 6-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyquinoline-7-carboxylic acid?
The InChIKey is XGUWNYVQGJHKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O5/c1-20(2,3)28-19(26)23-8-4-5-12(11-23)27-17-6-7-22-16-10-13(18(24)25)15(21)9-14(16)17/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,24,25).
What are the key properties of 6-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyquinoline-7-carboxylic acid?
6-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyquinoline-7-carboxylic acid has a molecular weight of 390.41 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyquinoline-7-carboxylic acid is sourced from PubChem (CID 126573691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).