3-methyl-2-[(E)-non-2-enyl]-1H-quinolin-4-one

C19H25NO — CID 10401590

IUPAC3-methyl-2-[(E)-non-2-enyl]-1H-quinolin-4-one
SMILESCCCCCC/C=C/Cc1[nH]c2ccccc2c(=O)c1C
InChIInChI=1S/C19H25NO/c1-3-4-5-6-7-8-9-13-17-15(2)19(21)16-12-10-11-14-18(16)20-17/h8-12,14H,3-7,13H2,1-2H3,(H,20,21)/b9-8+
InChIKeyXICKFFMQHHMRFO-CMDGGOBGSA-N
MW283.42 g/mol
LogP4.91
Rot. Bonds7

About 3-methyl-2-[(E)-non-2-enyl]-1H-quinolin-4-one

3-methyl-2-[(E)-non-2-enyl]-1H-quinolin-4-one (PubChem CID 10401590) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-methyl-2-[(E)-non-2-enyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[(E)-non-2-enyl]-1H-quinolin-4-one
PubChem CID10401590
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name3-methyl-2-[(E)-non-2-enyl]-1H-quinolin-4-one
SMILESCCCCCC/C=C/Cc1[nH]c2ccccc2c(=O)c1C
InChIInChI=1S/C19H25NO/c1-3-4-5-6-7-8-9-13-17-15(2)19(21)16-12-10-11-14-18(16)20-17/h8-12,14H,3-7,13H2,1-2H3,(H,20,21)/b9-8+
InChIKeyXICKFFMQHHMRFO-CMDGGOBGSA-N
XLogP4.91
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(E)-non-2-enyl]-1H-quinolin-4-one?
The IUPAC name of 3-methyl-2-[(E)-non-2-enyl]-1H-quinolin-4-one (CID 10401590) is 3-methyl-2-[(E)-non-2-enyl]-1H-quinolin-4-one.
What is the SMILES notation for 3-methyl-2-[(E)-non-2-enyl]-1H-quinolin-4-one?
The canonical SMILES for 3-methyl-2-[(E)-non-2-enyl]-1H-quinolin-4-one is CCCCCC/C=C/Cc1[nH]c2ccccc2c(=O)c1C.
What is the InChIKey of 3-methyl-2-[(E)-non-2-enyl]-1H-quinolin-4-one?
The InChIKey is XICKFFMQHHMRFO-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-4-5-6-7-8-9-13-17-15(2)19(21)16-12-10-11-14-18(16)20-17/h8-12,14H,3-7,13H2,1-2H3,(H,20,21)/b9-8+.
What are the key properties of 3-methyl-2-[(E)-non-2-enyl]-1H-quinolin-4-one?
3-methyl-2-[(E)-non-2-enyl]-1H-quinolin-4-one has a molecular weight of 283.42 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(E)-non-2-enyl]-1H-quinolin-4-one is sourced from PubChem (CID 10401590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).