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

C20H17ClN2O3 — CID 71299378

IUPAC5-amino-3-[2-(4-chlorophenyl)ethyl]-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
SMILESNC1=C2C(=O)N(CCc3ccc(Cl)cc3)C(=O)CC2c2ccccc2O1
InChIInChI=1S/C20H17ClN2O3/c21-13-7-5-12(6-8-13)9-10-23-17(24)11-15-14-3-1-2-4-16(14)26-19(22)18(15)20(23)25/h1-8,15H,9-11,22H2
InChIKeySQQBIRGIDLWJIF-UHFFFAOYSA-N
MW368.82 g/mol
LogP2.99
Rot. Bonds3

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

5-amino-3-[2-(4-chlorophenyl)ethyl]-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione (PubChem CID 71299378) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is 5-amino-3-[2-(4-chlorophenyl)ethyl]-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione.

Molecular Properties

Compound Name5-amino-3-[2-(4-chlorophenyl)ethyl]-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
PubChem CID71299378
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC Name5-amino-3-[2-(4-chlorophenyl)ethyl]-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
SMILESNC1=C2C(=O)N(CCc3ccc(Cl)cc3)C(=O)CC2c2ccccc2O1
InChIInChI=1S/C20H17ClN2O3/c21-13-7-5-12(6-8-13)9-10-23-17(24)11-15-14-3-1-2-4-16(14)26-19(22)18(15)20(23)25/h1-8,15H,9-11,22H2
InChIKeySQQBIRGIDLWJIF-UHFFFAOYSA-N
XLogP2.99
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 52.99
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-(4-chlorophenyl)ethyl]-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The IUPAC name of 5-amino-3-[2-(4-chlorophenyl)ethyl]-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione (CID 71299378) is 5-amino-3-[2-(4-chlorophenyl)ethyl]-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione.
What is the SMILES notation for 5-amino-3-[2-(4-chlorophenyl)ethyl]-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The canonical SMILES for 5-amino-3-[2-(4-chlorophenyl)ethyl]-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione is NC1=C2C(=O)N(CCc3ccc(Cl)cc3)C(=O)CC2c2ccccc2O1.
What is the InChIKey of 5-amino-3-[2-(4-chlorophenyl)ethyl]-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The InChIKey is SQQBIRGIDLWJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c21-13-7-5-12(6-8-13)9-10-23-17(24)11-15-14-3-1-2-4-16(14)26-19(22)18(15)20(23)25/h1-8,15H,9-11,22H2.
What are the key properties of 5-amino-3-[2-(4-chlorophenyl)ethyl]-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
5-amino-3-[2-(4-chlorophenyl)ethyl]-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione has a molecular weight of 368.82 g/mol, XLogP of 2.99, 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-(4-chlorophenyl)ethyl]-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione is sourced from PubChem (CID 71299378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).