6-butyl-2-methyl-3,4-diphenylquinoline

C26H25N — CID 134847641

IUPAC6-butyl-2-methyl-3,4-diphenylquinoline
SMILESCCCCc1ccc2nc(C)c(-c3ccccc3)c(-c3ccccc3)c2c1
InChIInChI=1S/C26H25N/c1-3-4-11-20-16-17-24-23(18-20)26(22-14-9-6-10-15-22)25(19(2)27-24)21-12-7-5-8-13-21/h5-10,12-18H,3-4,11H2,1-2H3
InChIKeyTVNYDUXPVRSONB-UHFFFAOYSA-N
MW351.49 g/mol
LogP7.22
Rot. Bonds5

About 6-butyl-2-methyl-3,4-diphenylquinoline

6-butyl-2-methyl-3,4-diphenylquinoline (PubChem CID 134847641) has the molecular formula C26H25N and a molecular weight of 351.49 g/mol. Its IUPAC name is 6-butyl-2-methyl-3,4-diphenylquinoline.

Molecular Properties

Compound Name6-butyl-2-methyl-3,4-diphenylquinoline
PubChem CID134847641
Molecular FormulaC26H25N
Molecular Weight351.49 g/mol
Exact Mass351.20
IUPAC Name6-butyl-2-methyl-3,4-diphenylquinoline
SMILESCCCCc1ccc2nc(C)c(-c3ccccc3)c(-c3ccccc3)c2c1
InChIInChI=1S/C26H25N/c1-3-4-11-20-16-17-24-23(18-20)26(22-14-9-6-10-15-22)25(19(2)27-24)21-12-7-5-8-13-21/h5-10,12-18H,3-4,11H2,1-2H3
InChIKeyTVNYDUXPVRSONB-UHFFFAOYSA-N
XLogP7.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-butyl-2,3-dimethylquinolin-4-amine
CID 62202924
6-butyl-3-ethyl-2-methylquinolin-4-amine
CID 55195960
3-butyl-6-hexyl-2-methylquinoxaline
CID 58269849
6-chloro-2-methyl-4-phenyl-3-propylquinoline
CID 2439854
6-butyl-2-methylquinoline-4-carboxylic acid
CID 4572965
6-butyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 3996403
3,6-dibutyl-9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]carbazole
CID 59845057
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744
6-butyl-2-ethyl-3-methylquinolin-4-amine
CID 55221457
4-chloro-3-methyl-2-phenyl-6-propylquinoline
CID 104845968
6-butyl-2-methylquinoline-4-carbonitrile
CID 82573302
2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 134182691

Frequently Asked Questions

What is the IUPAC name of 6-butyl-2-methyl-3,4-diphenylquinoline?
The IUPAC name of 6-butyl-2-methyl-3,4-diphenylquinoline (CID 134847641) is 6-butyl-2-methyl-3,4-diphenylquinoline.
What is the SMILES notation for 6-butyl-2-methyl-3,4-diphenylquinoline?
The canonical SMILES for 6-butyl-2-methyl-3,4-diphenylquinoline is CCCCc1ccc2nc(C)c(-c3ccccc3)c(-c3ccccc3)c2c1.
What is the InChIKey of 6-butyl-2-methyl-3,4-diphenylquinoline?
The InChIKey is TVNYDUXPVRSONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N/c1-3-4-11-20-16-17-24-23(18-20)26(22-14-9-6-10-15-22)25(19(2)27-24)21-12-7-5-8-13-21/h5-10,12-18H,3-4,11H2,1-2H3.
What are the key properties of 6-butyl-2-methyl-3,4-diphenylquinoline?
6-butyl-2-methyl-3,4-diphenylquinoline has a molecular weight of 351.49 g/mol, XLogP of 7.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-2-methyl-3,4-diphenylquinoline is sourced from PubChem (CID 134847641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).