3-(4,9-dimethoxyfuro[3,2-g]quinolin-2-yl)morpholine-4-carbaldehyde

C18H18N2O5 — CID 126503615

IUPAC3-(4,9-dimethoxyfuro[3,2-g]quinolin-2-yl)morpholine-4-carbaldehyde
SMILESCOc1c2cccnc2c(OC)c2oc(C3COCCN3C=O)cc12
InChIInChI=1S/C18H18N2O5/c1-22-16-11-4-3-5-19-15(11)18(23-2)17-12(16)8-14(25-17)13-9-24-7-6-20(13)10-21/h3-5,8,10,13H,6-7,9H2,1-2H3
InChIKeyXPAKBJLJEUTBKU-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.53
Rot. Bonds4

About 3-(4,9-dimethoxyfuro[3,2-g]quinolin-2-yl)morpholine-4-carbaldehyde

3-(4,9-dimethoxyfuro[3,2-g]quinolin-2-yl)morpholine-4-carbaldehyde (PubChem CID 126503615) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 3-(4,9-dimethoxyfuro[3,2-g]quinolin-2-yl)morpholine-4-carbaldehyde.

Molecular Properties

Compound Name3-(4,9-dimethoxyfuro[3,2-g]quinolin-2-yl)morpholine-4-carbaldehyde
PubChem CID126503615
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name3-(4,9-dimethoxyfuro[3,2-g]quinolin-2-yl)morpholine-4-carbaldehyde
SMILESCOc1c2cccnc2c(OC)c2oc(C3COCCN3C=O)cc12
InChIInChI=1S/C18H18N2O5/c1-22-16-11-4-3-5-19-15(11)18(23-2)17-12(16)8-14(25-17)13-9-24-7-6-20(13)10-21/h3-5,8,10,13H,6-7,9H2,1-2H3
InChIKeyXPAKBJLJEUTBKU-UHFFFAOYSA-N
XLogP2.53
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4,9-dimethoxyfuro[3,2-g]quinolin-2-yl)morpholine-4-carbaldehyde?
The IUPAC name of 3-(4,9-dimethoxyfuro[3,2-g]quinolin-2-yl)morpholine-4-carbaldehyde (CID 126503615) is 3-(4,9-dimethoxyfuro[3,2-g]quinolin-2-yl)morpholine-4-carbaldehyde.
What is the SMILES notation for 3-(4,9-dimethoxyfuro[3,2-g]quinolin-2-yl)morpholine-4-carbaldehyde?
The canonical SMILES for 3-(4,9-dimethoxyfuro[3,2-g]quinolin-2-yl)morpholine-4-carbaldehyde is COc1c2cccnc2c(OC)c2oc(C3COCCN3C=O)cc12.
What is the InChIKey of 3-(4,9-dimethoxyfuro[3,2-g]quinolin-2-yl)morpholine-4-carbaldehyde?
The InChIKey is XPAKBJLJEUTBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-22-16-11-4-3-5-19-15(11)18(23-2)17-12(16)8-14(25-17)13-9-24-7-6-20(13)10-21/h3-5,8,10,13H,6-7,9H2,1-2H3.
What are the key properties of 3-(4,9-dimethoxyfuro[3,2-g]quinolin-2-yl)morpholine-4-carbaldehyde?
3-(4,9-dimethoxyfuro[3,2-g]quinolin-2-yl)morpholine-4-carbaldehyde has a molecular weight of 342.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,9-dimethoxyfuro[3,2-g]quinolin-2-yl)morpholine-4-carbaldehyde is sourced from PubChem (CID 126503615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).