3-butyl-4-[(4-phenylphenyl)methoxy]quinoline

C26H25NO — CID 142641019

IUPAC3-butyl-4-[(4-phenylphenyl)methoxy]quinoline
SMILESCCCCc1cnc2ccccc2c1OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H25NO/c1-2-3-9-23-18-27-25-13-8-7-12-24(25)26(23)28-19-20-14-16-22(17-15-20)21-10-5-4-6-11-21/h4-8,10-18H,2-3,9,19H2,1H3
InChIKeyYYQJDDOEAIWWQL-UHFFFAOYSA-N
MW367.49 g/mol
LogP6.82
Rot. Bonds7

About 3-butyl-4-[(4-phenylphenyl)methoxy]quinoline

3-butyl-4-[(4-phenylphenyl)methoxy]quinoline (PubChem CID 142641019) has the molecular formula C26H25NO and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-butyl-4-[(4-phenylphenyl)methoxy]quinoline.

Molecular Properties

Compound Name3-butyl-4-[(4-phenylphenyl)methoxy]quinoline
PubChem CID142641019
Molecular FormulaC26H25NO
Molecular Weight367.49 g/mol
Exact Mass367.19
IUPAC Name3-butyl-4-[(4-phenylphenyl)methoxy]quinoline
SMILESCCCCc1cnc2ccccc2c1OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H25NO/c1-2-3-9-23-18-27-25-13-8-7-12-24(25)26(23)28-19-20-14-16-22(17-15-20)21-10-5-4-6-11-21/h4-8,10-18H,2-3,9,19H2,1H3
InChIKeyYYQJDDOEAIWWQL-UHFFFAOYSA-N
XLogP6.82
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-butyl-4-[(4-phenylphenyl)methoxy]quinoline 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

3-butyl-4-methylquinoline
CID 153439338
[4-[(4-bromophenyl)methoxy]quinolin-3-yl]methanamine
CID 82804822
1-butyl-4-phenylbenzene;ethane
CID 143743409
2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 134182691
4-butyl-3-methylquinoline
CID 153439340
2-(4-pentylphenyl)-5-phenylpyrimidine
CID 71339223
2-[4-(4-butylphenyl)phenyl]pyrimidine
CID 57129115
1,1'-biphenyl;4-[(4-methylphenyl)methyl]quinoline
CID 160837559
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744
5-pentadecyl-2-(4-phenylphenyl)pyrimidine
CID 140591488
5-hexyl-2-(4-phenylphenyl)pyrimidine
CID 21393178
6-butyl-7-phenylmethoxyquinoline-3,4-dicarbonitrile
CID 141484176

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-[(4-phenylphenyl)methoxy]quinoline?
The IUPAC name of 3-butyl-4-[(4-phenylphenyl)methoxy]quinoline (CID 142641019) is 3-butyl-4-[(4-phenylphenyl)methoxy]quinoline.
What is the SMILES notation for 3-butyl-4-[(4-phenylphenyl)methoxy]quinoline?
The canonical SMILES for 3-butyl-4-[(4-phenylphenyl)methoxy]quinoline is CCCCc1cnc2ccccc2c1OCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-butyl-4-[(4-phenylphenyl)methoxy]quinoline?
The InChIKey is YYQJDDOEAIWWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO/c1-2-3-9-23-18-27-25-13-8-7-12-24(25)26(23)28-19-20-14-16-22(17-15-20)21-10-5-4-6-11-21/h4-8,10-18H,2-3,9,19H2,1H3.
What are the key properties of 3-butyl-4-[(4-phenylphenyl)methoxy]quinoline?
3-butyl-4-[(4-phenylphenyl)methoxy]quinoline has a molecular weight of 367.49 g/mol, XLogP of 6.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-[(4-phenylphenyl)methoxy]quinoline is sourced from PubChem (CID 142641019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).