5-amino-8-methoxy-3-prop-2-ynyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione

C16H14N2O4 — CID 71299386

IUPAC5-amino-8-methoxy-3-prop-2-ynyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
SMILESC#CCN1C(=O)CC2C(=C(N)Oc3cc(OC)ccc32)C1=O
InChIInChI=1S/C16H14N2O4/c1-3-6-18-13(19)8-11-10-5-4-9(21-2)7-12(10)22-15(17)14(11)16(18)20/h1,4-5,7,11H,6,8,17H2,2H3
InChIKeySUAUCLCJYMHSFT-UHFFFAOYSA-N
MW298.30 g/mol
LogP0.73
Rot. Bonds2

About 5-amino-8-methoxy-3-prop-2-ynyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione

5-amino-8-methoxy-3-prop-2-ynyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione (PubChem CID 71299386) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 5-amino-8-methoxy-3-prop-2-ynyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione.

Molecular Properties

Compound Name5-amino-8-methoxy-3-prop-2-ynyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
PubChem CID71299386
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name5-amino-8-methoxy-3-prop-2-ynyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
SMILESC#CCN1C(=O)CC2C(=C(N)Oc3cc(OC)ccc32)C1=O
InChIInChI=1S/C16H14N2O4/c1-3-6-18-13(19)8-11-10-5-4-9(21-2)7-12(10)22-15(17)14(11)16(18)20/h1,4-5,7,11H,6,8,17H2,2H3
InChIKeySUAUCLCJYMHSFT-UHFFFAOYSA-N
XLogP0.73
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-8-methoxy-3-prop-2-ynyl-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

Frequently Asked Questions

What is the IUPAC name of 5-amino-8-methoxy-3-prop-2-ynyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The IUPAC name of 5-amino-8-methoxy-3-prop-2-ynyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione (CID 71299386) is 5-amino-8-methoxy-3-prop-2-ynyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione.
What is the SMILES notation for 5-amino-8-methoxy-3-prop-2-ynyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The canonical SMILES for 5-amino-8-methoxy-3-prop-2-ynyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione is C#CCN1C(=O)CC2C(=C(N)Oc3cc(OC)ccc32)C1=O.
What is the InChIKey of 5-amino-8-methoxy-3-prop-2-ynyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The InChIKey is SUAUCLCJYMHSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-3-6-18-13(19)8-11-10-5-4-9(21-2)7-12(10)22-15(17)14(11)16(18)20/h1,4-5,7,11H,6,8,17H2,2H3.
What are the key properties of 5-amino-8-methoxy-3-prop-2-ynyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
5-amino-8-methoxy-3-prop-2-ynyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione has a molecular weight of 298.30 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-8-methoxy-3-prop-2-ynyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione is sourced from PubChem (CID 71299386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).