2-[[hydroxy(methyl)amino]methylidene]quinolin-8-one

C11H10N2O2 — CID 661103

IUPAC2-[[hydroxy(methyl)amino]methylidene]quinolin-8-one
SMILESCN(O)C=c1ccc2c(n1)C(=O)C=CC=2
InChIInChI=1S/C11H10N2O2/c1-13(15)7-9-6-5-8-3-2-4-10(14)11(8)12-9/h2-7,15H,1H3
InChIKeyJNWUJLVKNFNKRB-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.33
Rot. Bonds1

About 2-[[hydroxy(methyl)amino]methylidene]quinolin-8-one

2-[[hydroxy(methyl)amino]methylidene]quinolin-8-one (PubChem CID 661103) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-[[hydroxy(methyl)amino]methylidene]quinolin-8-one.

Molecular Properties

Compound Name2-[[hydroxy(methyl)amino]methylidene]quinolin-8-one
PubChem CID661103
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-[[hydroxy(methyl)amino]methylidene]quinolin-8-one
SMILESCN(O)C=c1ccc2c(n1)C(=O)C=CC=2
InChIInChI=1S/C11H10N2O2/c1-13(15)7-9-6-5-8-3-2-4-10(14)11(8)12-9/h2-7,15H,1H3
InChIKeyJNWUJLVKNFNKRB-UHFFFAOYSA-N
XLogP-0.33
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[hydroxy(methyl)amino]methylidene]quinolin-8-one?
The IUPAC name of 2-[[hydroxy(methyl)amino]methylidene]quinolin-8-one (CID 661103) is 2-[[hydroxy(methyl)amino]methylidene]quinolin-8-one.
What is the SMILES notation for 2-[[hydroxy(methyl)amino]methylidene]quinolin-8-one?
The canonical SMILES for 2-[[hydroxy(methyl)amino]methylidene]quinolin-8-one is CN(O)C=c1ccc2c(n1)C(=O)C=CC=2.
What is the InChIKey of 2-[[hydroxy(methyl)amino]methylidene]quinolin-8-one?
The InChIKey is JNWUJLVKNFNKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-13(15)7-9-6-5-8-3-2-4-10(14)11(8)12-9/h2-7,15H,1H3.
What are the key properties of 2-[[hydroxy(methyl)amino]methylidene]quinolin-8-one?
2-[[hydroxy(methyl)amino]methylidene]quinolin-8-one has a molecular weight of 202.21 g/mol, XLogP of -0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[hydroxy(methyl)amino]methylidene]quinolin-8-one is sourced from PubChem (CID 661103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).