4-(piperidin-3-ylmethoxy)-6-propan-2-yloxyquinoline-7-carbaldehyde

C19H24N2O3 — CID 166972466

IUPAC4-(piperidin-3-ylmethoxy)-6-propan-2-yloxyquinoline-7-carbaldehyde
SMILESCC(C)Oc1cc2c(OCC3CCCNC3)ccnc2cc1C=O
InChIInChI=1S/C19H24N2O3/c1-13(2)24-19-9-16-17(8-15(19)11-22)21-7-5-18(16)23-12-14-4-3-6-20-10-14/h5,7-9,11,13-14,20H,3-4,6,10,12H2,1-2H3
InChIKeyKHJWIWPIMYHJHJ-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.21
Rot. Bonds6

About 4-(piperidin-3-ylmethoxy)-6-propan-2-yloxyquinoline-7-carbaldehyde

4-(piperidin-3-ylmethoxy)-6-propan-2-yloxyquinoline-7-carbaldehyde (PubChem CID 166972466) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-(piperidin-3-ylmethoxy)-6-propan-2-yloxyquinoline-7-carbaldehyde.

Molecular Properties

Compound Name4-(piperidin-3-ylmethoxy)-6-propan-2-yloxyquinoline-7-carbaldehyde
PubChem CID166972466
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name4-(piperidin-3-ylmethoxy)-6-propan-2-yloxyquinoline-7-carbaldehyde
SMILESCC(C)Oc1cc2c(OCC3CCCNC3)ccnc2cc1C=O
InChIInChI=1S/C19H24N2O3/c1-13(2)24-19-9-16-17(8-15(19)11-22)21-7-5-18(16)23-12-14-4-3-6-20-10-14/h5,7-9,11,13-14,20H,3-4,6,10,12H2,1-2H3
InChIKeyKHJWIWPIMYHJHJ-UHFFFAOYSA-N
XLogP3.21
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(piperidin-3-ylmethoxy)-2-(2-propan-2-yloxyphenoxy)pyridine
CID 68596079
6-fluoro-7-methoxy-4-(pyrrolidin-3-ylmethoxy)quinoline
CID 157040753
6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]-2-(2-propan-2-yloxyphenoxy)pyridine
CID 68596131
(E)-but-2-enedioic acid;3-[[(3S)-piperidin-3-yl]methoxy]-2-(2-propan-2-yloxyphenoxy)pyridine
CID 158162824
4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide
CID 118414683
3-[[2-(2-methylpropoxy)phenoxy]methyl]piperidine
CID 68596368
(3S)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]piperidine
CID 28750110
4-methyl-2-(piperidin-3-ylmethyl)benzaldehyde
CID 117309812
4-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide
CID 138726883
4-methoxy-3-(piperidin-3-ylmethoxy)benzoic acid
CID 117053837
3-[(2-methylphenoxy)methyl]piperidine
CID 18524094
(3R)-3-[(4-bromo-2-ethylphenoxy)methyl]piperidine
CID 86321965

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-3-ylmethoxy)-6-propan-2-yloxyquinoline-7-carbaldehyde?
The IUPAC name of 4-(piperidin-3-ylmethoxy)-6-propan-2-yloxyquinoline-7-carbaldehyde (CID 166972466) is 4-(piperidin-3-ylmethoxy)-6-propan-2-yloxyquinoline-7-carbaldehyde.
What is the SMILES notation for 4-(piperidin-3-ylmethoxy)-6-propan-2-yloxyquinoline-7-carbaldehyde?
The canonical SMILES for 4-(piperidin-3-ylmethoxy)-6-propan-2-yloxyquinoline-7-carbaldehyde is CC(C)Oc1cc2c(OCC3CCCNC3)ccnc2cc1C=O.
What is the InChIKey of 4-(piperidin-3-ylmethoxy)-6-propan-2-yloxyquinoline-7-carbaldehyde?
The InChIKey is KHJWIWPIMYHJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13(2)24-19-9-16-17(8-15(19)11-22)21-7-5-18(16)23-12-14-4-3-6-20-10-14/h5,7-9,11,13-14,20H,3-4,6,10,12H2,1-2H3.
What are the key properties of 4-(piperidin-3-ylmethoxy)-6-propan-2-yloxyquinoline-7-carbaldehyde?
4-(piperidin-3-ylmethoxy)-6-propan-2-yloxyquinoline-7-carbaldehyde has a molecular weight of 328.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-3-ylmethoxy)-6-propan-2-yloxyquinoline-7-carbaldehyde is sourced from PubChem (CID 166972466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).