4-methoxy-3-[(1E)-3-methylbuta-1,3-dienyl]-1H-quinolin-2-one

C15H15NO2 — CID 131752802

IUPAC4-methoxy-3-[(1E)-3-methylbuta-1,3-dienyl]-1H-quinolin-2-one
SMILESC=C(C)/C=C/c1c(OC)c2ccccc2[nH]c1=O
InChIInChI=1S/C15H15NO2/c1-10(2)8-9-12-14(18-3)11-6-4-5-7-13(11)16-15(12)17/h4-9H,1H2,2-3H3,(H,16,17)/b9-8+
InChIKeyKOFVUVJGUULEKJ-CMDGGOBGSA-N
MW241.29 g/mol
LogP3.13
Rot. Bonds3

About 4-methoxy-3-[(1E)-3-methylbuta-1,3-dienyl]-1H-quinolin-2-one

4-methoxy-3-[(1E)-3-methylbuta-1,3-dienyl]-1H-quinolin-2-one (PubChem CID 131752802) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-methoxy-3-[(1E)-3-methylbuta-1,3-dienyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-methoxy-3-[(1E)-3-methylbuta-1,3-dienyl]-1H-quinolin-2-one
PubChem CID131752802
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name4-methoxy-3-[(1E)-3-methylbuta-1,3-dienyl]-1H-quinolin-2-one
SMILESC=C(C)/C=C/c1c(OC)c2ccccc2[nH]c1=O
InChIInChI=1S/C15H15NO2/c1-10(2)8-9-12-14(18-3)11-6-4-5-7-13(11)16-15(12)17/h4-9H,1H2,2-3H3,(H,16,17)/b9-8+
InChIKeyKOFVUVJGUULEKJ-CMDGGOBGSA-N
XLogP3.13
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(1E)-3-methylbuta-1,3-dienyl]-1H-quinolin-2-one?
The IUPAC name of 4-methoxy-3-[(1E)-3-methylbuta-1,3-dienyl]-1H-quinolin-2-one (CID 131752802) is 4-methoxy-3-[(1E)-3-methylbuta-1,3-dienyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-methoxy-3-[(1E)-3-methylbuta-1,3-dienyl]-1H-quinolin-2-one?
The canonical SMILES for 4-methoxy-3-[(1E)-3-methylbuta-1,3-dienyl]-1H-quinolin-2-one is C=C(C)/C=C/c1c(OC)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-methoxy-3-[(1E)-3-methylbuta-1,3-dienyl]-1H-quinolin-2-one?
The InChIKey is KOFVUVJGUULEKJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10(2)8-9-12-14(18-3)11-6-4-5-7-13(11)16-15(12)17/h4-9H,1H2,2-3H3,(H,16,17)/b9-8+.
What are the key properties of 4-methoxy-3-[(1E)-3-methylbuta-1,3-dienyl]-1H-quinolin-2-one?
4-methoxy-3-[(1E)-3-methylbuta-1,3-dienyl]-1H-quinolin-2-one has a molecular weight of 241.29 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(1E)-3-methylbuta-1,3-dienyl]-1H-quinolin-2-one is sourced from PubChem (CID 131752802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).