7-methoxy-4-(morpholin-4-ylmethylidene)-2-phenylisoquinoline-1,3-dione

C21H20N2O4 — CID 4306547

IUPAC7-methoxy-4-(morpholin-4-ylmethylidene)-2-phenylisoquinoline-1,3-dione
SMILESCOc1ccc2c(c1)C(=O)N(c1ccccc1)C(=O)C2=CN1CCOCC1
InChIInChI=1S/C21H20N2O4/c1-26-16-7-8-17-18(13-16)20(24)23(15-5-3-2-4-6-15)21(25)19(17)14-22-9-11-27-12-10-22/h2-8,13-14H,9-12H2,1H3
InChIKeyMNNXVXMQSFWLCZ-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.56
Rot. Bonds3

About 7-methoxy-4-(morpholin-4-ylmethylidene)-2-phenylisoquinoline-1,3-dione

7-methoxy-4-(morpholin-4-ylmethylidene)-2-phenylisoquinoline-1,3-dione (PubChem CID 4306547) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 7-methoxy-4-(morpholin-4-ylmethylidene)-2-phenylisoquinoline-1,3-dione.

Molecular Properties

Compound Name7-methoxy-4-(morpholin-4-ylmethylidene)-2-phenylisoquinoline-1,3-dione
PubChem CID4306547
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name7-methoxy-4-(morpholin-4-ylmethylidene)-2-phenylisoquinoline-1,3-dione
SMILESCOc1ccc2c(c1)C(=O)N(c1ccccc1)C(=O)C2=CN1CCOCC1
InChIInChI=1S/C21H20N2O4/c1-26-16-7-8-17-18(13-16)20(24)23(15-5-3-2-4-6-15)21(25)19(17)14-22-9-11-27-12-10-22/h2-8,13-14H,9-12H2,1H3
InChIKeyMNNXVXMQSFWLCZ-UHFFFAOYSA-N
XLogP2.56
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(4E)-7-methoxy-2-(4-methoxyphenyl)-4-(morpholin-4-ylmethylidene)isoquinoline-1,3-dione
CID 99863968
(4E)-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methylidene]-2-(4-methylphenyl)isoquinoline-1,3-dione
CID 2459368
(5E)-1-(3-methoxyphenyl)-5-(morpholin-4-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 73253710
(3E)-5-methoxy-3-(morpholin-4-ylmethylidene)-1H-indol-2-one
CID 113196375
(4Z)-2-(4-methoxyphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methylidene]isoquinoline-1,3-dione
CID 2485513
7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione
CID 736902
2-[4-(dimethylamino)phenyl]-5-methoxyisoindole-1,3-dione
CID 25270868
(3Z)-3-(morpholin-4-ylmethylidene)-1,5-diphenylpyrrolidine-2,4-dione
CID 3003591
3-(2-methoxyphenyl)-1-(3-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110565222
5-(3,5-dimethylphenoxy)-2-phenylisoindole-1,3-dione
CID 925737
6-methoxy-2-phenyl-3,4-dihydroisoquinolin-1-one
CID 11043266
5-methoxy-2-(4-nitrophenyl)isoindole-1,3-dione
CID 68976074

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(morpholin-4-ylmethylidene)-2-phenylisoquinoline-1,3-dione?
The IUPAC name of 7-methoxy-4-(morpholin-4-ylmethylidene)-2-phenylisoquinoline-1,3-dione (CID 4306547) is 7-methoxy-4-(morpholin-4-ylmethylidene)-2-phenylisoquinoline-1,3-dione.
What is the SMILES notation for 7-methoxy-4-(morpholin-4-ylmethylidene)-2-phenylisoquinoline-1,3-dione?
The canonical SMILES for 7-methoxy-4-(morpholin-4-ylmethylidene)-2-phenylisoquinoline-1,3-dione is COc1ccc2c(c1)C(=O)N(c1ccccc1)C(=O)C2=CN1CCOCC1.
What is the InChIKey of 7-methoxy-4-(morpholin-4-ylmethylidene)-2-phenylisoquinoline-1,3-dione?
The InChIKey is MNNXVXMQSFWLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-26-16-7-8-17-18(13-16)20(24)23(15-5-3-2-4-6-15)21(25)19(17)14-22-9-11-27-12-10-22/h2-8,13-14H,9-12H2,1H3.
What are the key properties of 7-methoxy-4-(morpholin-4-ylmethylidene)-2-phenylisoquinoline-1,3-dione?
7-methoxy-4-(morpholin-4-ylmethylidene)-2-phenylisoquinoline-1,3-dione has a molecular weight of 364.40 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(morpholin-4-ylmethylidene)-2-phenylisoquinoline-1,3-dione is sourced from PubChem (CID 4306547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).