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

C23H24N2O7 — CID 71299394

IUPAC5-amino-8-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
SMILESCOc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3cc(OC)c(OC)c(OC)c3)C(=O)CC12
InChIInChI=1S/C23H24N2O7/c1-28-13-5-6-14-15-10-19(26)25(23(27)20(15)22(24)32-16(14)9-13)11-12-7-17(29-2)21(31-4)18(8-12)30-3/h5-9,15H,10-11,24H2,1-4H3
InChIKeyFBJQBIFPEJMLLH-UHFFFAOYSA-N
MW440.45 g/mol
LogP2.33
Rot. Bonds6

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

5-amino-8-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione (PubChem CID 71299394) has the molecular formula C23H24N2O7 and a molecular weight of 440.45 g/mol. Its IUPAC name is 5-amino-8-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione.

Molecular Properties

Compound Name5-amino-8-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
PubChem CID71299394
Molecular FormulaC23H24N2O7
Molecular Weight440.45 g/mol
Exact Mass440.16
IUPAC Name5-amino-8-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
SMILESCOc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3cc(OC)c(OC)c(OC)c3)C(=O)CC12
InChIInChI=1S/C23H24N2O7/c1-28-13-5-6-14-15-10-19(26)25(23(27)20(15)22(24)32-16(14)9-13)11-12-7-17(29-2)21(31-4)18(8-12)30-3/h5-9,15H,10-11,24H2,1-4H3
InChIKeyFBJQBIFPEJMLLH-UHFFFAOYSA-N
XLogP2.33
TPSA109.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-amino-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
CID 102166852
5-amino-3-[2-(4-chlorophenyl)ethyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
CID 71299353
6-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrochromen-2-one
CID 15419594
2-(2,5-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3817988
(4S)-4-(2,5-dipropoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one
CID 134834405
prop-2-enyl 4-(2,5-dimethoxyphenyl)-6-methyl-1-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854710
[2-amino-3-cyano-4-(4-methylsulfanylphenyl)-4H-chromen-7-yl] 3,4,5-trimethoxybenzoate
CID 19124413
4-chloro-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-one
CID 168687883
5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazol-3-one
CID 10521372
6-methoxy-9-(3,4,5-trimethoxyphenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one
CID 10833898
(4R)-2-amino-7-methoxy-4-(4-methylsulfanylphenyl)-4H-chromene-3-carbonitrile
CID 8613742
6-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 18467672

Frequently Asked Questions

What is the IUPAC name of 5-amino-8-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The IUPAC name of 5-amino-8-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione (CID 71299394) is 5-amino-8-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione.
What is the SMILES notation for 5-amino-8-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The canonical SMILES for 5-amino-8-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione is COc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3cc(OC)c(OC)c(OC)c3)C(=O)CC12.
What is the InChIKey of 5-amino-8-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The InChIKey is FBJQBIFPEJMLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O7/c1-28-13-5-6-14-15-10-19(26)25(23(27)20(15)22(24)32-16(14)9-13)11-12-7-17(29-2)21(31-4)18(8-12)30-3/h5-9,15H,10-11,24H2,1-4H3.
What are the key properties of 5-amino-8-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
5-amino-8-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione has a molecular weight of 440.45 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-8-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione is sourced from PubChem (CID 71299394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).