3-[(E)-N-(6-amino-2-pyridinyl)-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one

C17H16N4O2 — CID 135482666

IUPAC3-[(E)-N-(6-amino-2-pyridinyl)-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one
SMILESC/C(=N\c1cccc(N)n1)c1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C17H16N4O2/c1-10(19-14-9-5-8-13(18)20-14)15-16(22)11-6-3-4-7-12(11)21(2)17(15)23/h3-9,22H,1-2H3,(H2,18,20)/b19-10+
InChIKeyXQRJANZBCSAPHG-VXLYETTFSA-N
MW308.34 g/mol
LogP2.36
Rot. Bonds2

About 3-[(E)-N-(6-amino-2-pyridinyl)-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one

3-[(E)-N-(6-amino-2-pyridinyl)-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one (PubChem CID 135482666) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-[(E)-N-(6-amino-2-pyridinyl)-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-[(E)-N-(6-amino-2-pyridinyl)-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one
PubChem CID135482666
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name3-[(E)-N-(6-amino-2-pyridinyl)-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one
SMILESC/C(=N\c1cccc(N)n1)c1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C17H16N4O2/c1-10(19-14-9-5-8-13(18)20-14)15-16(22)11-6-3-4-7-12(11)21(2)17(15)23/h3-9,22H,1-2H3,(H2,18,20)/b19-10+
InChIKeyXQRJANZBCSAPHG-VXLYETTFSA-N
XLogP2.36
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-N-(6-amino-2-pyridinyl)-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one?
The IUPAC name of 3-[(E)-N-(6-amino-2-pyridinyl)-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one (CID 135482666) is 3-[(E)-N-(6-amino-2-pyridinyl)-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one.
What is the SMILES notation for 3-[(E)-N-(6-amino-2-pyridinyl)-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one?
The canonical SMILES for 3-[(E)-N-(6-amino-2-pyridinyl)-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one is C/C(=N\c1cccc(N)n1)c1c(O)c2ccccc2n(C)c1=O.
What is the InChIKey of 3-[(E)-N-(6-amino-2-pyridinyl)-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one?
The InChIKey is XQRJANZBCSAPHG-VXLYETTFSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-10(19-14-9-5-8-13(18)20-14)15-16(22)11-6-3-4-7-12(11)21(2)17(15)23/h3-9,22H,1-2H3,(H2,18,20)/b19-10+.
What are the key properties of 3-[(E)-N-(6-amino-2-pyridinyl)-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one?
3-[(E)-N-(6-amino-2-pyridinyl)-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one has a molecular weight of 308.34 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-N-(6-amino-2-pyridinyl)-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one is sourced from PubChem (CID 135482666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).