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

C21H18Cl2N2O3 — CID 71299352

IUPAC5-amino-3-[2-(2,4-dichlorophenyl)ethyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
SMILESCc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3ccc(Cl)cc3Cl)C(=O)CC12
InChIInChI=1S/C21H18Cl2N2O3/c1-11-2-5-14-15-10-18(26)25(7-6-12-3-4-13(22)9-16(12)23)21(27)19(15)20(24)28-17(14)8-11/h2-5,8-9,15H,6-7,10,24H2,1H3
InChIKeyZRXGKXODZYOTMC-UHFFFAOYSA-N
MW417.29 g/mol
LogP3.95
Rot. Bonds3

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

5-amino-3-[2-(2,4-dichlorophenyl)ethyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione (PubChem CID 71299352) has the molecular formula C21H18Cl2N2O3 and a molecular weight of 417.29 g/mol. Its IUPAC name is 5-amino-3-[2-(2,4-dichlorophenyl)ethyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione.

Molecular Properties

Compound Name5-amino-3-[2-(2,4-dichlorophenyl)ethyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
PubChem CID71299352
Molecular FormulaC21H18Cl2N2O3
Molecular Weight417.29 g/mol
Exact Mass416.07
IUPAC Name5-amino-3-[2-(2,4-dichlorophenyl)ethyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
SMILESCc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3ccc(Cl)cc3Cl)C(=O)CC12
InChIInChI=1S/C21H18Cl2N2O3/c1-11-2-5-14-15-10-18(26)25(7-6-12-3-4-13(22)9-16(12)23)21(27)19(15)20(24)28-17(14)8-11/h2-5,8-9,15H,6-7,10,24H2,1H3
InChIKeyZRXGKXODZYOTMC-UHFFFAOYSA-N
XLogP3.95
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.29
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[2-(2,4-dichlorophenyl)ethyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The IUPAC name of 5-amino-3-[2-(2,4-dichlorophenyl)ethyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione (CID 71299352) is 5-amino-3-[2-(2,4-dichlorophenyl)ethyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione.
What is the SMILES notation for 5-amino-3-[2-(2,4-dichlorophenyl)ethyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The canonical SMILES for 5-amino-3-[2-(2,4-dichlorophenyl)ethyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione is Cc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3ccc(Cl)cc3Cl)C(=O)CC12.
What is the InChIKey of 5-amino-3-[2-(2,4-dichlorophenyl)ethyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The InChIKey is ZRXGKXODZYOTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O3/c1-11-2-5-14-15-10-18(26)25(7-6-12-3-4-13(22)9-16(12)23)21(27)19(15)20(24)28-17(14)8-11/h2-5,8-9,15H,6-7,10,24H2,1H3.
What are the key properties of 5-amino-3-[2-(2,4-dichlorophenyl)ethyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
5-amino-3-[2-(2,4-dichlorophenyl)ethyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione has a molecular weight of 417.29 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[2-(2,4-dichlorophenyl)ethyl]-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione is sourced from PubChem (CID 71299352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).