3-methoxy-1H-quinolin-2-one;2-methylprop-2-enoic acid

C14H15NO4 — CID 67740157

IUPAC3-methoxy-1H-quinolin-2-one;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.COc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C10H9NO2.C4H6O2/c1-13-9-6-7-4-2-3-5-8(7)11-10(9)12;1-3(2)4(5)6/h2-6H,1H3,(H,11,12);1H2,2H3,(H,5,6)
InChIKeyVOMRPOSFPJUWMH-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.18
Rot. Bonds2

About 3-methoxy-1H-quinolin-2-one;2-methylprop-2-enoic acid

3-methoxy-1H-quinolin-2-one;2-methylprop-2-enoic acid (PubChem CID 67740157) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-methoxy-1H-quinolin-2-one;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name3-methoxy-1H-quinolin-2-one;2-methylprop-2-enoic acid
PubChem CID67740157
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name3-methoxy-1H-quinolin-2-one;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.COc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C10H9NO2.C4H6O2/c1-13-9-6-7-4-2-3-5-8(7)11-10(9)12;1-3(2)4(5)6/h2-6H,1H3,(H,11,12);1H2,2H3,(H,5,6)
InChIKeyVOMRPOSFPJUWMH-UHFFFAOYSA-N
XLogP2.18
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1H-quinolin-2-one;2-methylprop-2-enoic acid?
The IUPAC name of 3-methoxy-1H-quinolin-2-one;2-methylprop-2-enoic acid (CID 67740157) is 3-methoxy-1H-quinolin-2-one;2-methylprop-2-enoic acid.
What is the SMILES notation for 3-methoxy-1H-quinolin-2-one;2-methylprop-2-enoic acid?
The canonical SMILES for 3-methoxy-1H-quinolin-2-one;2-methylprop-2-enoic acid is C=C(C)C(=O)O.COc1cc2ccccc2[nH]c1=O.
What is the InChIKey of 3-methoxy-1H-quinolin-2-one;2-methylprop-2-enoic acid?
The InChIKey is VOMRPOSFPJUWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2.C4H6O2/c1-13-9-6-7-4-2-3-5-8(7)11-10(9)12;1-3(2)4(5)6/h2-6H,1H3,(H,11,12);1H2,2H3,(H,5,6).
What are the key properties of 3-methoxy-1H-quinolin-2-one;2-methylprop-2-enoic acid?
3-methoxy-1H-quinolin-2-one;2-methylprop-2-enoic acid has a molecular weight of 261.28 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1H-quinolin-2-one;2-methylprop-2-enoic acid is sourced from PubChem (CID 67740157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).