3-(morpholine-4-carbonyl)-4-phenylisochromen-1-one

C20H17NO4 — CID 3243262

IUPAC3-(morpholine-4-carbonyl)-4-phenylisochromen-1-one
SMILESO=C(c1oc(=O)c2ccccc2c1-c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H17NO4/c22-19(21-10-12-24-13-11-21)18-17(14-6-2-1-3-7-14)15-8-4-5-9-16(15)20(23)25-18/h1-9H,10-13H2
InChIKeyQXKJUWJQAKYOOL-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.93
Rot. Bonds2

About 3-(morpholine-4-carbonyl)-4-phenylisochromen-1-one

3-(morpholine-4-carbonyl)-4-phenylisochromen-1-one (PubChem CID 3243262) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 3-(morpholine-4-carbonyl)-4-phenylisochromen-1-one.

Molecular Properties

Compound Name3-(morpholine-4-carbonyl)-4-phenylisochromen-1-one
PubChem CID3243262
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name3-(morpholine-4-carbonyl)-4-phenylisochromen-1-one
SMILESO=C(c1oc(=O)c2ccccc2c1-c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H17NO4/c22-19(21-10-12-24-13-11-21)18-17(14-6-2-1-3-7-14)15-8-4-5-9-16(15)20(23)25-18/h1-9H,10-13H2
InChIKeyQXKJUWJQAKYOOL-UHFFFAOYSA-N
XLogP2.93
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholine-4-carbonyl)-4-phenylisochromen-1-one?
The IUPAC name of 3-(morpholine-4-carbonyl)-4-phenylisochromen-1-one (CID 3243262) is 3-(morpholine-4-carbonyl)-4-phenylisochromen-1-one.
What is the SMILES notation for 3-(morpholine-4-carbonyl)-4-phenylisochromen-1-one?
The canonical SMILES for 3-(morpholine-4-carbonyl)-4-phenylisochromen-1-one is O=C(c1oc(=O)c2ccccc2c1-c1ccccc1)N1CCOCC1.
What is the InChIKey of 3-(morpholine-4-carbonyl)-4-phenylisochromen-1-one?
The InChIKey is QXKJUWJQAKYOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c22-19(21-10-12-24-13-11-21)18-17(14-6-2-1-3-7-14)15-8-4-5-9-16(15)20(23)25-18/h1-9H,10-13H2.
What are the key properties of 3-(morpholine-4-carbonyl)-4-phenylisochromen-1-one?
3-(morpholine-4-carbonyl)-4-phenylisochromen-1-one has a molecular weight of 335.36 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholine-4-carbonyl)-4-phenylisochromen-1-one is sourced from PubChem (CID 3243262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).