6-morpholin-4-yl-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione

C19H18N2O3 — CID 619416

IUPAC6-morpholin-4-yl-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione
SMILESC=CCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O
InChIInChI=1S/C19H18N2O3/c1-2-8-21-18(22)14-5-3-4-13-16(20-9-11-24-12-10-20)7-6-15(17(13)14)19(21)23/h2-7H,1,8-12H2
InChIKeyHXBXMNCIDQBCHE-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.46
Rot. Bonds3

About 6-morpholin-4-yl-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione

6-morpholin-4-yl-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione (PubChem CID 619416) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 6-morpholin-4-yl-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-morpholin-4-yl-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione
PubChem CID619416
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name6-morpholin-4-yl-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione
SMILESC=CCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O
InChIInChI=1S/C19H18N2O3/c1-2-8-21-18(22)14-5-3-4-13-16(20-9-11-24-12-10-20)7-6-15(17(13)14)19(21)23/h2-7H,1,8-12H2
InChIKeyHXBXMNCIDQBCHE-UHFFFAOYSA-N
XLogP2.46
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-morpholin-4-yl-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione (CID 619416) is 6-morpholin-4-yl-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-morpholin-4-yl-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-morpholin-4-yl-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione is C=CCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O.
What is the InChIKey of 6-morpholin-4-yl-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is HXBXMNCIDQBCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-2-8-21-18(22)14-5-3-4-13-16(20-9-11-24-12-10-20)7-6-15(17(13)14)19(21)23/h2-7H,1,8-12H2.
What are the key properties of 6-morpholin-4-yl-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione?
6-morpholin-4-yl-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 322.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 619416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).