1-methyl-5-(3-morpholin-4-ylpropyl)-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione

C23H28N2O4 — CID 71602492

IUPAC1-methyl-5-(3-morpholin-4-ylpropyl)-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione
SMILESCC1(CCc2ccccc2)OC(=O)c2c1ccn(CCCN1CCOCC1)c2=O
InChIInChI=1S/C23H28N2O4/c1-23(10-8-18-6-3-2-4-7-18)19-9-13-25(21(26)20(19)22(27)29-23)12-5-11-24-14-16-28-17-15-24/h2-4,6-7,9,13H,5,8,10-12,14-17H2,1H3
InChIKeyBKPVSPKFWCAIKT-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.59
Rot. Bonds7

About 1-methyl-5-(3-morpholin-4-ylpropyl)-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione

1-methyl-5-(3-morpholin-4-ylpropyl)-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione (PubChem CID 71602492) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-methyl-5-(3-morpholin-4-ylpropyl)-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name1-methyl-5-(3-morpholin-4-ylpropyl)-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione
PubChem CID71602492
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name1-methyl-5-(3-morpholin-4-ylpropyl)-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione
SMILESCC1(CCc2ccccc2)OC(=O)c2c1ccn(CCCN1CCOCC1)c2=O
InChIInChI=1S/C23H28N2O4/c1-23(10-8-18-6-3-2-4-7-18)19-9-13-25(21(26)20(19)22(27)29-23)12-5-11-24-14-16-28-17-15-24/h2-4,6-7,9,13H,5,8,10-12,14-17H2,1H3
InChIKeyBKPVSPKFWCAIKT-UHFFFAOYSA-N
XLogP2.59
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-methyl-5-(3-morpholin-4-ylpropyl)-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione with MolForge

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Related Compounds

5-(2-hydroxy-2-phenylethyl)-1,1-dimethyl-1H,5H-furo[3,4-c]pyridine-3,4-dione
CID 70688141
5-[3-(Diethylamino)-2-hydroxypropyl]-1-methyl-1-phenylfuro[3,4-c]pyridine-3,4-dione
CID 71602427
5-[3-(Diethylamino)-2-hydroxypropyl]-1-methyl-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione
CID 71744954
5-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropyl]-1,1-dimethyl-1H,5H-furo[3,4-c]pyridine-3,4-dione
CID 70690179
1-Methyl-5-(3-morpholin-4-ylpropyl)-1-phenylfuro[3,4-c]pyridine-3,4-dione
CID 71602491
5-Cyclopropyl-1-[2-(4-fluorophenyl)ethyl]-1-methylfuro[3,4-c]pyridine-3,4-dione
CID 155384863
5-Cyclopropyl-1-[3-(4-fluorophenyl)propyl]-1-methylfuro[3,4-c]pyridine-3,4-dione
CID 155384881
4-methyl-6-(2-phenylethyl)-3-{[2-(trifluoromethyl)-4-morpholinyl]carbonyl}-2H-pyran-2-one
CID 170503476
Methyl 3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-oxopropanoate
CID 132463413
3-Phenylpropyl 3-cyano-2-morpholin-4-yl-4-oxoquinolizine-1-carboxylate
CID 14551524
4-(morpholine-4-carbonyl)-2,3-diphenyl-2H-furan-5-one
CID 70977338
Ethyl 4-benzyl-6-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate
CID 141913046

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3-morpholin-4-ylpropyl)-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione?
The IUPAC name of 1-methyl-5-(3-morpholin-4-ylpropyl)-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione (CID 71602492) is 1-methyl-5-(3-morpholin-4-ylpropyl)-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for 1-methyl-5-(3-morpholin-4-ylpropyl)-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione?
The canonical SMILES for 1-methyl-5-(3-morpholin-4-ylpropyl)-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione is CC1(CCc2ccccc2)OC(=O)c2c1ccn(CCCN1CCOCC1)c2=O.
What is the InChIKey of 1-methyl-5-(3-morpholin-4-ylpropyl)-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione?
The InChIKey is BKPVSPKFWCAIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-23(10-8-18-6-3-2-4-7-18)19-9-13-25(21(26)20(19)22(27)29-23)12-5-11-24-14-16-28-17-15-24/h2-4,6-7,9,13H,5,8,10-12,14-17H2,1H3.
What are the key properties of 1-methyl-5-(3-morpholin-4-ylpropyl)-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione?
1-methyl-5-(3-morpholin-4-ylpropyl)-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione has a molecular weight of 396.49 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3-morpholin-4-ylpropyl)-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 71602492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).