1-(4-phenylquinolin-3-yl)nonan-2-one

C24H27NO — CID 149426498

IUPAC1-(4-phenylquinolin-3-yl)nonan-2-one
SMILESCCCCCCCC(=O)Cc1cnc2ccccc2c1-c1ccccc1
InChIInChI=1S/C24H27NO/c1-2-3-4-5-9-14-21(26)17-20-18-25-23-16-11-10-15-22(23)24(20)19-12-7-6-8-13-19/h6-8,10-13,15-16,18H,2-5,9,14,17H2,1H3
InChIKeyYUFBNKNXIJNHAX-UHFFFAOYSA-N
MW345.49 g/mol
LogP6.37
Rot. Bonds9

About 1-(4-phenylquinolin-3-yl)nonan-2-one

1-(4-phenylquinolin-3-yl)nonan-2-one (PubChem CID 149426498) has the molecular formula C24H27NO and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-(4-phenylquinolin-3-yl)nonan-2-one.

Molecular Properties

Compound Name1-(4-phenylquinolin-3-yl)nonan-2-one
PubChem CID149426498
Molecular FormulaC24H27NO
Molecular Weight345.49 g/mol
Exact Mass345.21
IUPAC Name1-(4-phenylquinolin-3-yl)nonan-2-one
SMILESCCCCCCCC(=O)Cc1cnc2ccccc2c1-c1ccccc1
InChIInChI=1S/C24H27NO/c1-2-3-4-5-9-14-21(26)17-20-18-25-23-16-11-10-15-22(23)24(20)19-12-7-6-8-13-19/h6-8,10-13,15-16,18H,2-5,9,14,17H2,1H3
InChIKeyYUFBNKNXIJNHAX-UHFFFAOYSA-N
XLogP6.37
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylquinolin-3-yl)nonan-2-one?
The IUPAC name of 1-(4-phenylquinolin-3-yl)nonan-2-one (CID 149426498) is 1-(4-phenylquinolin-3-yl)nonan-2-one.
What is the SMILES notation for 1-(4-phenylquinolin-3-yl)nonan-2-one?
The canonical SMILES for 1-(4-phenylquinolin-3-yl)nonan-2-one is CCCCCCCC(=O)Cc1cnc2ccccc2c1-c1ccccc1.
What is the InChIKey of 1-(4-phenylquinolin-3-yl)nonan-2-one?
The InChIKey is YUFBNKNXIJNHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO/c1-2-3-4-5-9-14-21(26)17-20-18-25-23-16-11-10-15-22(23)24(20)19-12-7-6-8-13-19/h6-8,10-13,15-16,18H,2-5,9,14,17H2,1H3.
What are the key properties of 1-(4-phenylquinolin-3-yl)nonan-2-one?
1-(4-phenylquinolin-3-yl)nonan-2-one has a molecular weight of 345.49 g/mol, XLogP of 6.37, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylquinolin-3-yl)nonan-2-one is sourced from PubChem (CID 149426498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).