3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinolin-4-ylpropyl)pyran-4-one

C22H22N2O5 — CID 71826402

IUPAC3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinolin-4-ylpropyl)pyran-4-one
SMILESCc1cc(=O)c(O)c(C(CC(=O)N2CCOCC2)c2ccnc3ccccc23)o1
InChIInChI=1S/C22H22N2O5/c1-14-12-19(25)21(27)22(29-14)17(13-20(26)24-8-10-28-11-9-24)15-6-7-23-18-5-3-2-4-16(15)18/h2-7,12,17,27H,8-11,13H2,1H3
InChIKeyYEXZZDOUTNQXJW-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.58
Rot. Bonds4

About 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinolin-4-ylpropyl)pyran-4-one

3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinolin-4-ylpropyl)pyran-4-one (PubChem CID 71826402) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinolin-4-ylpropyl)pyran-4-one.

Molecular Properties

Compound Name3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinolin-4-ylpropyl)pyran-4-one
PubChem CID71826402
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Name3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinolin-4-ylpropyl)pyran-4-one
SMILESCc1cc(=O)c(O)c(C(CC(=O)N2CCOCC2)c2ccnc3ccccc23)o1
InChIInChI=1S/C22H22N2O5/c1-14-12-19(25)21(27)22(29-14)17(13-20(26)24-8-10-28-11-9-24)15-6-7-23-18-5-3-2-4-16(15)18/h2-7,12,17,27H,8-11,13H2,1H3
InChIKeyYEXZZDOUTNQXJW-UHFFFAOYSA-N
XLogP2.58
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinolin-4-ylpropyl)pyran-4-one?
The IUPAC name of 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinolin-4-ylpropyl)pyran-4-one (CID 71826402) is 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinolin-4-ylpropyl)pyran-4-one.
What is the SMILES notation for 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinolin-4-ylpropyl)pyran-4-one?
The canonical SMILES for 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinolin-4-ylpropyl)pyran-4-one is Cc1cc(=O)c(O)c(C(CC(=O)N2CCOCC2)c2ccnc3ccccc23)o1.
What is the InChIKey of 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinolin-4-ylpropyl)pyran-4-one?
The InChIKey is YEXZZDOUTNQXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-14-12-19(25)21(27)22(29-14)17(13-20(26)24-8-10-28-11-9-24)15-6-7-23-18-5-3-2-4-16(15)18/h2-7,12,17,27H,8-11,13H2,1H3.
What are the key properties of 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinolin-4-ylpropyl)pyran-4-one?
3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinolin-4-ylpropyl)pyran-4-one has a molecular weight of 394.43 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinolin-4-ylpropyl)pyran-4-one is sourced from PubChem (CID 71826402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).