6,7-dimethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-benzo[f][2]benzofuran-3-one

C22H21N3O5 — CID 165394276

IUPAC6,7-dimethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-benzo[f][2]benzofuran-3-one
SMILESCOc1cc2cc3c(c(-c4cnc(N5CCOCC5)nc4)c2cc1OC)C(=O)OC3
InChIInChI=1S/C22H21N3O5/c1-27-17-8-13-7-14-12-30-21(26)20(14)19(16(13)9-18(17)28-2)15-10-23-22(24-11-15)25-3-5-29-6-4-25/h7-11H,3-6,12H2,1-2H3
InChIKeyQNGMKLOAZRWJGF-UHFFFAOYSA-N
MW407.43 g/mol
LogP2.82
Rot. Bonds4

About 6,7-dimethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-benzo[f][2]benzofuran-3-one

6,7-dimethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-benzo[f][2]benzofuran-3-one (PubChem CID 165394276) has the molecular formula C22H21N3O5 and a molecular weight of 407.43 g/mol. Its IUPAC name is 6,7-dimethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-benzo[f][2]benzofuran-3-one.

Molecular Properties

Compound Name6,7-dimethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-benzo[f][2]benzofuran-3-one
PubChem CID165394276
Molecular FormulaC22H21N3O5
Molecular Weight407.43 g/mol
Exact Mass407.15
IUPAC Name6,7-dimethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-benzo[f][2]benzofuran-3-one
SMILESCOc1cc2cc3c(c(-c4cnc(N5CCOCC5)nc4)c2cc1OC)C(=O)OC3
InChIInChI=1S/C22H21N3O5/c1-27-17-8-13-7-14-12-30-21(26)20(14)19(16(13)9-18(17)28-2)15-10-23-22(24-11-15)25-3-5-29-6-4-25/h7-11H,3-6,12H2,1-2H3
InChIKeyQNGMKLOAZRWJGF-UHFFFAOYSA-N
XLogP2.82
TPSA83.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6,7-dimethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-benzo[f][2]benzofuran-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-5-yl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
CID 171059320
6,7-dimethoxy-4-[2-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1H-benzo[f][2]benzofuran-3-one
CID 171059325
6,7-dimethoxy-4-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one
CID 165394405
4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
CID 165394183
4-[2-[bis(2-hydroxyethyl)amino]pyrimidin-5-yl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one;hydrochloride
CID 171059390
4-[2-[butyl(methyl)amino]pyrimidin-5-yl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
CID 165394233
6,7-dimethoxy-4-[2-(N,3,4-trimethylanilino)pyrimidin-5-yl]-1H-benzo[f][2]benzofuran-3-one
CID 165394407
6,7-dimethoxy-4-quinolin-7-yl-1H-benzo[f][2]benzofuran-3-one
CID 171059418
4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
CID 165394194
4-[2-(dioctylamino)pyrimidin-5-yl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
CID 165394256
N-[5-(6,7-dimethoxy-3-oxo-1H-benzo[f][2]benzofuran-4-yl)-2-pyridinyl]-N-methylacetamide
CID 165394309
6,7-dimethoxy-4-(4-piperazin-1-ylquinolin-7-yl)-1H-benzo[f][2]benzofuran-3-one
CID 165394402

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-benzo[f][2]benzofuran-3-one?
The IUPAC name of 6,7-dimethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-benzo[f][2]benzofuran-3-one (CID 165394276) is 6,7-dimethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-benzo[f][2]benzofuran-3-one.
What is the SMILES notation for 6,7-dimethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-benzo[f][2]benzofuran-3-one?
The canonical SMILES for 6,7-dimethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-benzo[f][2]benzofuran-3-one is COc1cc2cc3c(c(-c4cnc(N5CCOCC5)nc4)c2cc1OC)C(=O)OC3.
What is the InChIKey of 6,7-dimethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-benzo[f][2]benzofuran-3-one?
The InChIKey is QNGMKLOAZRWJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5/c1-27-17-8-13-7-14-12-30-21(26)20(14)19(16(13)9-18(17)28-2)15-10-23-22(24-11-15)25-3-5-29-6-4-25/h7-11H,3-6,12H2,1-2H3.
What are the key properties of 6,7-dimethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-benzo[f][2]benzofuran-3-one?
6,7-dimethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-benzo[f][2]benzofuran-3-one has a molecular weight of 407.43 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-benzo[f][2]benzofuran-3-one is sourced from PubChem (CID 165394276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).