tert-butyl 3-(7-formyl-6-hydroxyquinolin-4-yl)oxypiperidine-1-carboxylate

C20H24N2O5 — CID 126598466

IUPACtert-butyl 3-(7-formyl-6-hydroxyquinolin-4-yl)oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Oc2ccnc3cc(C=O)c(O)cc23)C1
InChIInChI=1S/C20H24N2O5/c1-20(2,3)27-19(25)22-8-4-5-14(11-22)26-18-6-7-21-16-9-13(12-23)17(24)10-15(16)18/h6-7,9-10,12,14,24H,4-5,8,11H2,1-3H3
InChIKeyBEHFPQRMCCEHRC-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.53
Rot. Bonds3

About tert-butyl 3-(7-formyl-6-hydroxyquinolin-4-yl)oxypiperidine-1-carboxylate

tert-butyl 3-(7-formyl-6-hydroxyquinolin-4-yl)oxypiperidine-1-carboxylate (PubChem CID 126598466) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is tert-butyl 3-(7-formyl-6-hydroxyquinolin-4-yl)oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(7-formyl-6-hydroxyquinolin-4-yl)oxypiperidine-1-carboxylate
PubChem CID126598466
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Nametert-butyl 3-(7-formyl-6-hydroxyquinolin-4-yl)oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Oc2ccnc3cc(C=O)c(O)cc23)C1
InChIInChI=1S/C20H24N2O5/c1-20(2,3)27-19(25)22-8-4-5-14(11-22)26-18-6-7-21-16-9-13(12-23)17(24)10-15(16)18/h6-7,9-10,12,14,24H,4-5,8,11H2,1-3H3
InChIKeyBEHFPQRMCCEHRC-UHFFFAOYSA-N
XLogP3.53
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate
CID 126573698
6-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyquinoline-7-carboxylic acid
CID 126573691
tert-butyl 4-(6-methylquinolin-4-yl)oxypiperidine-1-carboxylate
CID 143199953
tert-butyl (3R)-3-[(3-hydroxy-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71630690
tert-butyl (3R)-3-[[4-(difluoromethoxy)-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 144697957
tert-butyl 3-isoquinolin-1-yloxypiperidine-1-carboxylate
CID 118114502
tert-butyl (3R)-3-pyridin-2-yloxypiperidine-1-carboxylate
CID 71630688
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-pyrazin-2-yloxypiperidine-1-carboxylate
CID 24902489
tert-butyl 3-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate
CID 122257425
tert-butyl (3S)-3-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71634726

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(7-formyl-6-hydroxyquinolin-4-yl)oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(7-formyl-6-hydroxyquinolin-4-yl)oxypiperidine-1-carboxylate (CID 126598466) is tert-butyl 3-(7-formyl-6-hydroxyquinolin-4-yl)oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(7-formyl-6-hydroxyquinolin-4-yl)oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(7-formyl-6-hydroxyquinolin-4-yl)oxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(Oc2ccnc3cc(C=O)c(O)cc23)C1.
What is the InChIKey of tert-butyl 3-(7-formyl-6-hydroxyquinolin-4-yl)oxypiperidine-1-carboxylate?
The InChIKey is BEHFPQRMCCEHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-20(2,3)27-19(25)22-8-4-5-14(11-22)26-18-6-7-21-16-9-13(12-23)17(24)10-15(16)18/h6-7,9-10,12,14,24H,4-5,8,11H2,1-3H3.
What are the key properties of tert-butyl 3-(7-formyl-6-hydroxyquinolin-4-yl)oxypiperidine-1-carboxylate?
tert-butyl 3-(7-formyl-6-hydroxyquinolin-4-yl)oxypiperidine-1-carboxylate has a molecular weight of 372.42 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(7-formyl-6-hydroxyquinolin-4-yl)oxypiperidine-1-carboxylate is sourced from PubChem (CID 126598466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).