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

C16H18N2O4 — CID 71299362

IUPAC5-amino-3-(2-methoxyethyl)-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
SMILESCOCCN1C(=O)CC2C(=C(N)Oc3cc(C)ccc32)C1=O
InChIInChI=1S/C16H18N2O4/c1-9-3-4-10-11-8-13(19)18(5-6-21-2)16(20)14(11)15(17)22-12(10)7-9/h3-4,7,11H,5-6,8,17H2,1-2H3
InChIKeyKTHRTEBVYWYQMF-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.05
Rot. Bonds3

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

5-amino-3-(2-methoxyethyl)-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione (PubChem CID 71299362) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-amino-3-(2-methoxyethyl)-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione.

Molecular Properties

Compound Name5-amino-3-(2-methoxyethyl)-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
PubChem CID71299362
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name5-amino-3-(2-methoxyethyl)-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
SMILESCOCCN1C(=O)CC2C(=C(N)Oc3cc(C)ccc32)C1=O
InChIInChI=1S/C16H18N2O4/c1-9-3-4-10-11-8-13(19)18(5-6-21-2)16(20)14(11)15(17)22-12(10)7-9/h3-4,7,11H,5-6,8,17H2,1-2H3
InChIKeyKTHRTEBVYWYQMF-UHFFFAOYSA-N
XLogP1.05
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxyethyl)-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The IUPAC name of 5-amino-3-(2-methoxyethyl)-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione (CID 71299362) is 5-amino-3-(2-methoxyethyl)-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione.
What is the SMILES notation for 5-amino-3-(2-methoxyethyl)-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The canonical SMILES for 5-amino-3-(2-methoxyethyl)-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione is COCCN1C(=O)CC2C(=C(N)Oc3cc(C)ccc32)C1=O.
What is the InChIKey of 5-amino-3-(2-methoxyethyl)-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The InChIKey is KTHRTEBVYWYQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-9-3-4-10-11-8-13(19)18(5-6-21-2)16(20)14(11)15(17)22-12(10)7-9/h3-4,7,11H,5-6,8,17H2,1-2H3.
What are the key properties of 5-amino-3-(2-methoxyethyl)-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
5-amino-3-(2-methoxyethyl)-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione has a molecular weight of 302.33 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-methoxyethyl)-8-methyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione is sourced from PubChem (CID 71299362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).