5-amino-8-methoxy-3-(3-morpholin-4-ylpropyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione

C20H25N3O5 — CID 71299395

IUPAC5-amino-8-methoxy-3-(3-morpholin-4-ylpropyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
SMILESCOc1ccc2c(c1)OC(N)=C1C(=O)N(CCCN3CCOCC3)C(=O)CC12
InChIInChI=1S/C20H25N3O5/c1-26-13-3-4-14-15-12-17(24)23(6-2-5-22-7-9-27-10-8-22)20(25)18(15)19(21)28-16(14)11-13/h3-4,11,15H,2,5-10,12,21H2,1H3
InChIKeyFJPWZNNNSZTYTN-UHFFFAOYSA-N
MW387.44 g/mol
LogP0.82
Rot. Bonds5

About 5-amino-8-methoxy-3-(3-morpholin-4-ylpropyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione

5-amino-8-methoxy-3-(3-morpholin-4-ylpropyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione (PubChem CID 71299395) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is 5-amino-8-methoxy-3-(3-morpholin-4-ylpropyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione.

Molecular Properties

Compound Name5-amino-8-methoxy-3-(3-morpholin-4-ylpropyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
PubChem CID71299395
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name5-amino-8-methoxy-3-(3-morpholin-4-ylpropyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
SMILESCOc1ccc2c(c1)OC(N)=C1C(=O)N(CCCN3CCOCC3)C(=O)CC12
InChIInChI=1S/C20H25N3O5/c1-26-13-3-4-14-15-12-17(24)23(6-2-5-22-7-9-27-10-8-22)20(25)18(15)19(21)28-16(14)11-13/h3-4,11,15H,2,5-10,12,21H2,1H3
InChIKeyFJPWZNNNSZTYTN-UHFFFAOYSA-N
XLogP0.82
TPSA94.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-amino-8-methoxy-3-(3-morpholin-4-ylpropyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione with MolForge

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Related Compounds

4-(2,4-dimethoxyphenyl)-2,7,7-trimethyl-3-(morpholin-4-ylcarbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
CID 656095
methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-6-((tetrahydrofuran-2-yl)methyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 666516
ethyl 2-amino-7-hydroxy-4-[4-(2-piperidin-1-ylethoxy)phenyl]-4H-chromene-3-carboxylate
CID 156019853
methyl 2-amino-7-hydroxy-4-[4-(2-piperidin-1-ylethoxy)phenyl]-4H-chromene-3-carboxylate
CID 156019975
5-amino-3-dodecyl-1H-chromeno[3,4-c]pyridine-2,4(3H,10bH)-dione
CID 71299377
3-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 16746416
5-Amino-8-[(4-chlorophenyl)methoxy]-3-dodecyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
CID 145965652
ethyl 2-amino-4-[2-(diethylamino)-2-oxoethyl]-6-phenyl-4H-chromene-3-carboxylate
CID 25069370
ethyl 2-amino-4-(2-oxo-2-piperidin-1-ylethyl)-6-phenyl-4H-chromene-3-carboxylate
CID 25074088
ethyl 2-amino-4-(2-morpholin-4-yl-2-oxoethyl)-6-phenyl-4H-chromene-3-carboxylate
CID 25074409
ethyl 2-amino-4-(2-oxo-2-piperazin-1-ylethyl)-6-phenyl-4H-chromene-3-carboxylate
CID 25074410
5-amino-3-(3-(dimethylamino)propyl)-8-methyl-1H-chromeno[3,4-c]pyridine-2,4(3H,10bH)-dione
CID 71299357

Frequently Asked Questions

What is the IUPAC name of 5-amino-8-methoxy-3-(3-morpholin-4-ylpropyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The IUPAC name of 5-amino-8-methoxy-3-(3-morpholin-4-ylpropyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione (CID 71299395) is 5-amino-8-methoxy-3-(3-morpholin-4-ylpropyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione.
What is the SMILES notation for 5-amino-8-methoxy-3-(3-morpholin-4-ylpropyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The canonical SMILES for 5-amino-8-methoxy-3-(3-morpholin-4-ylpropyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione is COc1ccc2c(c1)OC(N)=C1C(=O)N(CCCN3CCOCC3)C(=O)CC12.
What is the InChIKey of 5-amino-8-methoxy-3-(3-morpholin-4-ylpropyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The InChIKey is FJPWZNNNSZTYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-26-13-3-4-14-15-12-17(24)23(6-2-5-22-7-9-27-10-8-22)20(25)18(15)19(21)28-16(14)11-13/h3-4,11,15H,2,5-10,12,21H2,1H3.
What are the key properties of 5-amino-8-methoxy-3-(3-morpholin-4-ylpropyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
5-amino-8-methoxy-3-(3-morpholin-4-ylpropyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione has a molecular weight of 387.44 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-8-methoxy-3-(3-morpholin-4-ylpropyl)-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione is sourced from PubChem (CID 71299395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).