4-(2,3-dimethylquinolin-4-yl)-2-(5-methylfuran-2-yl)morpholine

C20H22N2O2 — CID 133451752

IUPAC4-(2,3-dimethylquinolin-4-yl)-2-(5-methylfuran-2-yl)morpholine
SMILESCc1ccc(C2CN(c3c(C)c(C)nc4ccccc34)CCO2)o1
InChIInChI=1S/C20H22N2O2/c1-13-8-9-18(24-13)19-12-22(10-11-23-19)20-14(2)15(3)21-17-7-5-4-6-16(17)20/h4-9,19H,10-12H2,1-3H3
InChIKeyIFUBRAXKRJTFST-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.33
Rot. Bonds2

About 4-(2,3-dimethylquinolin-4-yl)-2-(5-methylfuran-2-yl)morpholine

4-(2,3-dimethylquinolin-4-yl)-2-(5-methylfuran-2-yl)morpholine (PubChem CID 133451752) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-(2,3-dimethylquinolin-4-yl)-2-(5-methylfuran-2-yl)morpholine.

Molecular Properties

Compound Name4-(2,3-dimethylquinolin-4-yl)-2-(5-methylfuran-2-yl)morpholine
PubChem CID133451752
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name4-(2,3-dimethylquinolin-4-yl)-2-(5-methylfuran-2-yl)morpholine
SMILESCc1ccc(C2CN(c3c(C)c(C)nc4ccccc34)CCO2)o1
InChIInChI=1S/C20H22N2O2/c1-13-8-9-18(24-13)19-12-22(10-11-23-19)20-14(2)15(3)21-17-7-5-4-6-16(17)20/h4-9,19H,10-12H2,1-3H3
InChIKeyIFUBRAXKRJTFST-UHFFFAOYSA-N
XLogP4.33
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylquinolin-4-yl)-2-(5-methylfuran-2-yl)morpholine?
The IUPAC name of 4-(2,3-dimethylquinolin-4-yl)-2-(5-methylfuran-2-yl)morpholine (CID 133451752) is 4-(2,3-dimethylquinolin-4-yl)-2-(5-methylfuran-2-yl)morpholine.
What is the SMILES notation for 4-(2,3-dimethylquinolin-4-yl)-2-(5-methylfuran-2-yl)morpholine?
The canonical SMILES for 4-(2,3-dimethylquinolin-4-yl)-2-(5-methylfuran-2-yl)morpholine is Cc1ccc(C2CN(c3c(C)c(C)nc4ccccc34)CCO2)o1.
What is the InChIKey of 4-(2,3-dimethylquinolin-4-yl)-2-(5-methylfuran-2-yl)morpholine?
The InChIKey is IFUBRAXKRJTFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-13-8-9-18(24-13)19-12-22(10-11-23-19)20-14(2)15(3)21-17-7-5-4-6-16(17)20/h4-9,19H,10-12H2,1-3H3.
What are the key properties of 4-(2,3-dimethylquinolin-4-yl)-2-(5-methylfuran-2-yl)morpholine?
4-(2,3-dimethylquinolin-4-yl)-2-(5-methylfuran-2-yl)morpholine has a molecular weight of 322.41 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylquinolin-4-yl)-2-(5-methylfuran-2-yl)morpholine is sourced from PubChem (CID 133451752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).