6-methylidene-3-(morpholin-4-ylmethyl)-4-phenylquinolin-2-one

C21H20N2O2 — CID 78206887

IUPAC6-methylidene-3-(morpholin-4-ylmethyl)-4-phenylquinolin-2-one
SMILESC=c1ccc2c(c1)C(c1ccccc1)=C(CN1CCOCC1)C(=O)N=2
InChIInChI=1S/C21H20N2O2/c1-15-7-8-19-17(13-15)20(16-5-3-2-4-6-16)18(21(24)22-19)14-23-9-11-25-12-10-23/h2-8,13H,1,9-12,14H2
InChIKeyVXDCOMIAPNQEKP-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.39
Rot. Bonds3

About 6-methylidene-3-(morpholin-4-ylmethyl)-4-phenylquinolin-2-one

6-methylidene-3-(morpholin-4-ylmethyl)-4-phenylquinolin-2-one (PubChem CID 78206887) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 6-methylidene-3-(morpholin-4-ylmethyl)-4-phenylquinolin-2-one.

Molecular Properties

Compound Name6-methylidene-3-(morpholin-4-ylmethyl)-4-phenylquinolin-2-one
PubChem CID78206887
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name6-methylidene-3-(morpholin-4-ylmethyl)-4-phenylquinolin-2-one
SMILESC=c1ccc2c(c1)C(c1ccccc1)=C(CN1CCOCC1)C(=O)N=2
InChIInChI=1S/C21H20N2O2/c1-15-7-8-19-17(13-15)20(16-5-3-2-4-6-16)18(21(24)22-19)14-23-9-11-25-12-10-23/h2-8,13H,1,9-12,14H2
InChIKeyVXDCOMIAPNQEKP-UHFFFAOYSA-N
XLogP1.39
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methylidene-3-(morpholin-4-ylmethyl)-4-phenylquinolin-2-one?
The IUPAC name of 6-methylidene-3-(morpholin-4-ylmethyl)-4-phenylquinolin-2-one (CID 78206887) is 6-methylidene-3-(morpholin-4-ylmethyl)-4-phenylquinolin-2-one.
What is the SMILES notation for 6-methylidene-3-(morpholin-4-ylmethyl)-4-phenylquinolin-2-one?
The canonical SMILES for 6-methylidene-3-(morpholin-4-ylmethyl)-4-phenylquinolin-2-one is C=c1ccc2c(c1)C(c1ccccc1)=C(CN1CCOCC1)C(=O)N=2.
What is the InChIKey of 6-methylidene-3-(morpholin-4-ylmethyl)-4-phenylquinolin-2-one?
The InChIKey is VXDCOMIAPNQEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-15-7-8-19-17(13-15)20(16-5-3-2-4-6-16)18(21(24)22-19)14-23-9-11-25-12-10-23/h2-8,13H,1,9-12,14H2.
What are the key properties of 6-methylidene-3-(morpholin-4-ylmethyl)-4-phenylquinolin-2-one?
6-methylidene-3-(morpholin-4-ylmethyl)-4-phenylquinolin-2-one has a molecular weight of 332.40 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-3-(morpholin-4-ylmethyl)-4-phenylquinolin-2-one is sourced from PubChem (CID 78206887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).