2-methyl-3-[(E)-3-phenylprop-2-enoyl]-1H-quinolin-4-one

C19H15NO2 — CID 5350830

IUPAC2-methyl-3-[(E)-3-phenylprop-2-enoyl]-1H-quinolin-4-one
SMILESCc1[nH]c2ccccc2c(=O)c1C(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H15NO2/c1-13-18(17(21)12-11-14-7-3-2-4-8-14)19(22)15-9-5-6-10-16(15)20-13/h2-12H,1H3,(H,20,22)/b12-11+
InChIKeyGLMXCYNQAMJMGO-VAWYXSNFSA-N
MW289.33 g/mol
LogP3.73
Rot. Bonds3

About 2-methyl-3-[(E)-3-phenylprop-2-enoyl]-1H-quinolin-4-one

2-methyl-3-[(E)-3-phenylprop-2-enoyl]-1H-quinolin-4-one (PubChem CID 5350830) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-methyl-3-[(E)-3-phenylprop-2-enoyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-methyl-3-[(E)-3-phenylprop-2-enoyl]-1H-quinolin-4-one
PubChem CID5350830
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name2-methyl-3-[(E)-3-phenylprop-2-enoyl]-1H-quinolin-4-one
SMILESCc1[nH]c2ccccc2c(=O)c1C(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H15NO2/c1-13-18(17(21)12-11-14-7-3-2-4-8-14)19(22)15-9-5-6-10-16(15)20-13/h2-12H,1H3,(H,20,22)/b12-11+
InChIKeyGLMXCYNQAMJMGO-VAWYXSNFSA-N
XLogP3.73
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-methyl-3-[(E)-3-phenylprop-2-enoyl]-1H-quinolin-4-one?
The IUPAC name of 2-methyl-3-[(E)-3-phenylprop-2-enoyl]-1H-quinolin-4-one (CID 5350830) is 2-methyl-3-[(E)-3-phenylprop-2-enoyl]-1H-quinolin-4-one.
What is the SMILES notation for 2-methyl-3-[(E)-3-phenylprop-2-enoyl]-1H-quinolin-4-one?
The canonical SMILES for 2-methyl-3-[(E)-3-phenylprop-2-enoyl]-1H-quinolin-4-one is Cc1[nH]c2ccccc2c(=O)c1C(=O)/C=C/c1ccccc1.
What is the InChIKey of 2-methyl-3-[(E)-3-phenylprop-2-enoyl]-1H-quinolin-4-one?
The InChIKey is GLMXCYNQAMJMGO-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H15NO2/c1-13-18(17(21)12-11-14-7-3-2-4-8-14)19(22)15-9-5-6-10-16(15)20-13/h2-12H,1H3,(H,20,22)/b12-11+.
What are the key properties of 2-methyl-3-[(E)-3-phenylprop-2-enoyl]-1H-quinolin-4-one?
2-methyl-3-[(E)-3-phenylprop-2-enoyl]-1H-quinolin-4-one has a molecular weight of 289.33 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(E)-3-phenylprop-2-enoyl]-1H-quinolin-4-one is sourced from PubChem (CID 5350830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).