2-[(3-hydroxy-2-pyridinyl)amino]-7-methoxy-4H-isoquinoline-1,3-dione

C15H13N3O4 — CID 19595184

IUPAC2-[(3-hydroxy-2-pyridinyl)amino]-7-methoxy-4H-isoquinoline-1,3-dione
SMILESCOc1ccc2c(c1)C(=O)N(Nc1ncccc1O)C(=O)C2
InChIInChI=1S/C15H13N3O4/c1-22-10-5-4-9-7-13(20)18(15(21)11(9)8-10)17-14-12(19)3-2-6-16-14/h2-6,8,19H,7H2,1H3,(H,16,17)
InChIKeyKYDFYGFQBCPQKO-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.35
Rot. Bonds3

About 2-[(3-hydroxy-2-pyridinyl)amino]-7-methoxy-4H-isoquinoline-1,3-dione

2-[(3-hydroxy-2-pyridinyl)amino]-7-methoxy-4H-isoquinoline-1,3-dione (PubChem CID 19595184) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 2-[(3-hydroxy-2-pyridinyl)amino]-7-methoxy-4H-isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-[(3-hydroxy-2-pyridinyl)amino]-7-methoxy-4H-isoquinoline-1,3-dione
PubChem CID19595184
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name2-[(3-hydroxy-2-pyridinyl)amino]-7-methoxy-4H-isoquinoline-1,3-dione
SMILESCOc1ccc2c(c1)C(=O)N(Nc1ncccc1O)C(=O)C2
InChIInChI=1S/C15H13N3O4/c1-22-10-5-4-9-7-13(20)18(15(21)11(9)8-10)17-14-12(19)3-2-6-16-14/h2-6,8,19H,7H2,1H3,(H,16,17)
InChIKeyKYDFYGFQBCPQKO-UHFFFAOYSA-N
XLogP1.35
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2-pyridinyl)amino]-7-methoxy-4H-isoquinoline-1,3-dione?
The IUPAC name of 2-[(3-hydroxy-2-pyridinyl)amino]-7-methoxy-4H-isoquinoline-1,3-dione (CID 19595184) is 2-[(3-hydroxy-2-pyridinyl)amino]-7-methoxy-4H-isoquinoline-1,3-dione.
What is the SMILES notation for 2-[(3-hydroxy-2-pyridinyl)amino]-7-methoxy-4H-isoquinoline-1,3-dione?
The canonical SMILES for 2-[(3-hydroxy-2-pyridinyl)amino]-7-methoxy-4H-isoquinoline-1,3-dione is COc1ccc2c(c1)C(=O)N(Nc1ncccc1O)C(=O)C2.
What is the InChIKey of 2-[(3-hydroxy-2-pyridinyl)amino]-7-methoxy-4H-isoquinoline-1,3-dione?
The InChIKey is KYDFYGFQBCPQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-22-10-5-4-9-7-13(20)18(15(21)11(9)8-10)17-14-12(19)3-2-6-16-14/h2-6,8,19H,7H2,1H3,(H,16,17).
What are the key properties of 2-[(3-hydroxy-2-pyridinyl)amino]-7-methoxy-4H-isoquinoline-1,3-dione?
2-[(3-hydroxy-2-pyridinyl)amino]-7-methoxy-4H-isoquinoline-1,3-dione has a molecular weight of 299.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2-pyridinyl)amino]-7-methoxy-4H-isoquinoline-1,3-dione is sourced from PubChem (CID 19595184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).