8-(2-bromo-6-methylphenyl)-2-methyl-4-pentan-3-yloxyquinoline

C22H24BrNO — CID 18461214

IUPAC8-(2-bromo-6-methylphenyl)-2-methyl-4-pentan-3-yloxyquinoline
SMILESCCC(CC)Oc1cc(C)nc2c(-c3c(C)cccc3Br)cccc12
InChIInChI=1S/C22H24BrNO/c1-5-16(6-2)25-20-13-15(4)24-22-17(20)10-8-11-18(22)21-14(3)9-7-12-19(21)23/h7-13,16H,5-6H2,1-4H3
InChIKeyJJLBTBCMSGRDJD-UHFFFAOYSA-N
MW398.34 g/mol
LogP6.85
Rot. Bonds5

About 8-(2-bromo-6-methylphenyl)-2-methyl-4-pentan-3-yloxyquinoline

8-(2-bromo-6-methylphenyl)-2-methyl-4-pentan-3-yloxyquinoline (PubChem CID 18461214) has the molecular formula C22H24BrNO and a molecular weight of 398.34 g/mol. Its IUPAC name is 8-(2-bromo-6-methylphenyl)-2-methyl-4-pentan-3-yloxyquinoline.

Molecular Properties

Compound Name8-(2-bromo-6-methylphenyl)-2-methyl-4-pentan-3-yloxyquinoline
PubChem CID18461214
Molecular FormulaC22H24BrNO
Molecular Weight398.34 g/mol
Exact Mass397.10
IUPAC Name8-(2-bromo-6-methylphenyl)-2-methyl-4-pentan-3-yloxyquinoline
SMILESCCC(CC)Oc1cc(C)nc2c(-c3c(C)cccc3Br)cccc12
InChIInChI=1S/C22H24BrNO/c1-5-16(6-2)25-20-13-15(4)24-22-17(20)10-8-11-18(22)21-14(3)9-7-12-19(21)23/h7-13,16H,5-6H2,1-4H3
InChIKeyJJLBTBCMSGRDJD-UHFFFAOYSA-N
XLogP6.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.34
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-(2-bromo-6-methylphenyl)-2-methyl-4-pentan-3-yloxyquinoline 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

2-[2-methyl-8-[2,4,6-tris(methylamino)phenyl]quinolin-4-yl]oxybutan-1-ol
CID 174372855
8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxyquinoline
CID 57253961
3-(2-methylquinolin-8-yl)oxypentan-1-amine
CID 43175250
1,2-dimethyl-3-pentan-3-yloxybenzene
CID 103432359
1-bromo-2-hexan-3-yloxybenzene
CID 66986707
3-(2,3-dimethylphenoxy)pentan-1-amine
CID 43368078
1,4-dibromo-2,5-di(pentan-3-yloxy)benzene
CID 102111957
1,2,5-trimethyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridine
CID 22474345
1-bromo-2-(2-bromo-6-methylphenyl)-3-methylbenzene
CID 14113190
1-bromo-2-[1-(2-bromophenoxy)propoxy]benzene
CID 69347469
8-(4-chloro-2,6-dimethylphenyl)-2-methyl-N-pentan-3-ylquinolin-4-amine;8-(1-hydroxybutan-2-yloxy)-6-methyl-4-(2,4,6-trimethylphenyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one
CID 18461230
N-[(8-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine
CID 82449013

Frequently Asked Questions

What is the IUPAC name of 8-(2-bromo-6-methylphenyl)-2-methyl-4-pentan-3-yloxyquinoline?
The IUPAC name of 8-(2-bromo-6-methylphenyl)-2-methyl-4-pentan-3-yloxyquinoline (CID 18461214) is 8-(2-bromo-6-methylphenyl)-2-methyl-4-pentan-3-yloxyquinoline.
What is the SMILES notation for 8-(2-bromo-6-methylphenyl)-2-methyl-4-pentan-3-yloxyquinoline?
The canonical SMILES for 8-(2-bromo-6-methylphenyl)-2-methyl-4-pentan-3-yloxyquinoline is CCC(CC)Oc1cc(C)nc2c(-c3c(C)cccc3Br)cccc12.
What is the InChIKey of 8-(2-bromo-6-methylphenyl)-2-methyl-4-pentan-3-yloxyquinoline?
The InChIKey is JJLBTBCMSGRDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrNO/c1-5-16(6-2)25-20-13-15(4)24-22-17(20)10-8-11-18(22)21-14(3)9-7-12-19(21)23/h7-13,16H,5-6H2,1-4H3.
What are the key properties of 8-(2-bromo-6-methylphenyl)-2-methyl-4-pentan-3-yloxyquinoline?
8-(2-bromo-6-methylphenyl)-2-methyl-4-pentan-3-yloxyquinoline has a molecular weight of 398.34 g/mol, XLogP of 6.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-bromo-6-methylphenyl)-2-methyl-4-pentan-3-yloxyquinoline is sourced from PubChem (CID 18461214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).