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

C20H19N3O4 — CID 71299385

IUPAC5-amino-3-[(4-aminophenyl)methyl]-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
SMILESCOc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3ccc(N)cc3)C(=O)CC12
InChIInChI=1S/C20H19N3O4/c1-26-13-6-7-14-15-9-17(24)23(10-11-2-4-12(21)5-3-11)20(25)18(15)19(22)27-16(14)8-13/h2-8,15H,9-10,21-22H2,1H3
InChIKeyGYHLBLDSSBZBFJ-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.88
Rot. Bonds3

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

5-amino-3-[(4-aminophenyl)methyl]-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione (PubChem CID 71299385) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 5-amino-3-[(4-aminophenyl)methyl]-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione.

Molecular Properties

Compound Name5-amino-3-[(4-aminophenyl)methyl]-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
PubChem CID71299385
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name5-amino-3-[(4-aminophenyl)methyl]-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
SMILESCOc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3ccc(N)cc3)C(=O)CC12
InChIInChI=1S/C20H19N3O4/c1-26-13-6-7-14-15-9-17(24)23(10-11-2-4-12(21)5-3-11)20(25)18(15)19(22)27-16(14)8-13/h2-8,15H,9-10,21-22H2,1H3
InChIKeyGYHLBLDSSBZBFJ-UHFFFAOYSA-N
XLogP1.88
TPSA107.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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

5-(2,4-Dimethoxybenzyl)-1-(4-ethylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 592024
3-[4-(Dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-piperidin-1-ylpropan-1-one
CID 16746315
3-(5,7-dimethoxy-2-oxochromen-8-yl)-3-[4-(dimethylamino)phenyl]-N,N-diethylpropanamide
CID 16746263
3-[4-(Dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 16746337
3-[4-(Dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 16746430
3-[4-(dimethylamino)phenyl]-N,N-diethyl-3-(2-hydroxy-4,6-dimethoxyphenyl)propanamide
CID 16746431
3-[4-(Dimethylamino)phenyl]-1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one
CID 46943402
3-[4-(Dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 16746330
3-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 16746340
3-[4-(Dimethylamino)phenyl]-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 16746344
8-[1-[4-(Dimethylamino)phenyl]-3-morpholin-4-yl-3-oxopropyl]-5,7-dimethoxychromen-2-one
CID 16746498
4-(2,4-Dimethoxyphenyl)-N-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
CID 2901192

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(4-aminophenyl)methyl]-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The IUPAC name of 5-amino-3-[(4-aminophenyl)methyl]-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione (CID 71299385) is 5-amino-3-[(4-aminophenyl)methyl]-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione.
What is the SMILES notation for 5-amino-3-[(4-aminophenyl)methyl]-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The canonical SMILES for 5-amino-3-[(4-aminophenyl)methyl]-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione is COc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3ccc(N)cc3)C(=O)CC12.
What is the InChIKey of 5-amino-3-[(4-aminophenyl)methyl]-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The InChIKey is GYHLBLDSSBZBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-26-13-6-7-14-15-9-17(24)23(10-11-2-4-12(21)5-3-11)20(25)18(15)19(22)27-16(14)8-13/h2-8,15H,9-10,21-22H2,1H3.
What are the key properties of 5-amino-3-[(4-aminophenyl)methyl]-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
5-amino-3-[(4-aminophenyl)methyl]-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione has a molecular weight of 365.39 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(4-aminophenyl)methyl]-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione is sourced from PubChem (CID 71299385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).