2-(2,3-dimethoxyphenyl)-6-morpholin-4-yl-1H-quinolin-4-one

C21H22N2O4 — CID 56643677

IUPAC2-(2,3-dimethoxyphenyl)-6-morpholin-4-yl-1H-quinolin-4-one
SMILESCOc1cccc(-c2cc(=O)c3cc(N4CCOCC4)ccc3[nH]2)c1OC
InChIInChI=1S/C21H22N2O4/c1-25-20-5-3-4-15(21(20)26-2)18-13-19(24)16-12-14(6-7-17(16)22-18)23-8-10-27-11-9-23/h3-7,12-13H,8-11H2,1-2H3,(H,22,24)
InChIKeyAUBJOYNDVWWGDY-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.05
Rot. Bonds4

About 2-(2,3-dimethoxyphenyl)-6-morpholin-4-yl-1H-quinolin-4-one

2-(2,3-dimethoxyphenyl)-6-morpholin-4-yl-1H-quinolin-4-one (PubChem CID 56643677) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-6-morpholin-4-yl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-6-morpholin-4-yl-1H-quinolin-4-one
PubChem CID56643677
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name2-(2,3-dimethoxyphenyl)-6-morpholin-4-yl-1H-quinolin-4-one
SMILESCOc1cccc(-c2cc(=O)c3cc(N4CCOCC4)ccc3[nH]2)c1OC
InChIInChI=1S/C21H22N2O4/c1-25-20-5-3-4-15(21(20)26-2)18-13-19(24)16-12-14(6-7-17(16)22-18)23-8-10-27-11-9-23/h3-7,12-13H,8-11H2,1-2H3,(H,22,24)
InChIKeyAUBJOYNDVWWGDY-UHFFFAOYSA-N
XLogP3.05
TPSA63.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-6-morpholin-4-yl-1H-quinolin-4-one?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-6-morpholin-4-yl-1H-quinolin-4-one (CID 56643677) is 2-(2,3-dimethoxyphenyl)-6-morpholin-4-yl-1H-quinolin-4-one.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-6-morpholin-4-yl-1H-quinolin-4-one?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-6-morpholin-4-yl-1H-quinolin-4-one is COc1cccc(-c2cc(=O)c3cc(N4CCOCC4)ccc3[nH]2)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-6-morpholin-4-yl-1H-quinolin-4-one?
The InChIKey is AUBJOYNDVWWGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-25-20-5-3-4-15(21(20)26-2)18-13-19(24)16-12-14(6-7-17(16)22-18)23-8-10-27-11-9-23/h3-7,12-13H,8-11H2,1-2H3,(H,22,24).
What are the key properties of 2-(2,3-dimethoxyphenyl)-6-morpholin-4-yl-1H-quinolin-4-one?
2-(2,3-dimethoxyphenyl)-6-morpholin-4-yl-1H-quinolin-4-one has a molecular weight of 366.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-6-morpholin-4-yl-1H-quinolin-4-one is sourced from PubChem (CID 56643677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).