1-(6-methoxy-4-phenylquinolin-3-yl)octan-2-one

C24H27NO2 — CID 147949604

IUPAC1-(6-methoxy-4-phenylquinolin-3-yl)octan-2-one
SMILESCCCCCCC(=O)Cc1cnc2ccc(OC)cc2c1-c1ccccc1
InChIInChI=1S/C24H27NO2/c1-3-4-5-9-12-20(26)15-19-17-25-23-14-13-21(27-2)16-22(23)24(19)18-10-7-6-8-11-18/h6-8,10-11,13-14,16-17H,3-5,9,12,15H2,1-2H3
InChIKeyINIYLCWIFKIDFZ-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.99
Rot. Bonds9

About 1-(6-methoxy-4-phenylquinolin-3-yl)octan-2-one

1-(6-methoxy-4-phenylquinolin-3-yl)octan-2-one (PubChem CID 147949604) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-(6-methoxy-4-phenylquinolin-3-yl)octan-2-one.

Molecular Properties

Compound Name1-(6-methoxy-4-phenylquinolin-3-yl)octan-2-one
PubChem CID147949604
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name1-(6-methoxy-4-phenylquinolin-3-yl)octan-2-one
SMILESCCCCCCC(=O)Cc1cnc2ccc(OC)cc2c1-c1ccccc1
InChIInChI=1S/C24H27NO2/c1-3-4-5-9-12-20(26)15-19-17-25-23-14-13-21(27-2)16-22(23)24(19)18-10-7-6-8-11-18/h6-8,10-11,13-14,16-17H,3-5,9,12,15H2,1-2H3
InChIKeyINIYLCWIFKIDFZ-UHFFFAOYSA-N
XLogP5.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(6-methoxy-4-phenylquinolin-3-yl)octan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-phenylquinolin-3-yl)nonan-2-one
CID 149426498
1-(7-methoxy-1-phenylnaphthalen-2-yl)heptan-2-one
CID 159161749
6-chloro-1-(4-chloro-6-methoxyquinolin-3-yl)hexan-2-one
CID 176655507
1-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]nonan-2-one;1-isoquinolin-3-ylnonan-2-one;1-(6-methoxy-4-phenylquinolin-3-yl)nonan-2-one;1-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]nonan-2-one;1-(1-phenylnaphthalen-2-yl)heptan-2-one;1-(1-phenylnaphthalen-2-yl)octan-2-one;1-(4-phenylquinolin-3-yl)nonan-2-one;1-quinolin-3-ylheptan-2-one;1-quinolin-3-yloctan-2-one
CID 161117513
ethyl 2,2-difluoro-2-(6-methoxy-4-phenylquinolin-3-yl)acetate
CID 164677018
6-methoxy-3-nitro-4-phenylquinoline
CID 139655167
1-(3-methoxyphenyl)heptan-2-one
CID 61056670
1,1'-biphenyl;heptadecan-9-one
CID 19613965
1-(2-methoxyphenyl)undecan-2-one
CID 63409598
8-methoxy-N-(2-methoxyethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide
CID 27375633
4-chloro-3-(3-chloropropyl)-6-methoxyquinoline
CID 89139556
1-(3,5-dimethoxyphenyl)heptadecan-2-one
CID 10916163

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-4-phenylquinolin-3-yl)octan-2-one?
The IUPAC name of 1-(6-methoxy-4-phenylquinolin-3-yl)octan-2-one (CID 147949604) is 1-(6-methoxy-4-phenylquinolin-3-yl)octan-2-one.
What is the SMILES notation for 1-(6-methoxy-4-phenylquinolin-3-yl)octan-2-one?
The canonical SMILES for 1-(6-methoxy-4-phenylquinolin-3-yl)octan-2-one is CCCCCCC(=O)Cc1cnc2ccc(OC)cc2c1-c1ccccc1.
What is the InChIKey of 1-(6-methoxy-4-phenylquinolin-3-yl)octan-2-one?
The InChIKey is INIYLCWIFKIDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-3-4-5-9-12-20(26)15-19-17-25-23-14-13-21(27-2)16-22(23)24(19)18-10-7-6-8-11-18/h6-8,10-11,13-14,16-17H,3-5,9,12,15H2,1-2H3.
What are the key properties of 1-(6-methoxy-4-phenylquinolin-3-yl)octan-2-one?
1-(6-methoxy-4-phenylquinolin-3-yl)octan-2-one has a molecular weight of 361.49 g/mol, XLogP of 5.99, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-4-phenylquinolin-3-yl)octan-2-one is sourced from PubChem (CID 147949604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).