4-(2-bromobutyl)-2-methylquinoline

C14H16BrN — CID 63203840

IUPAC4-(2-bromobutyl)-2-methylquinoline
SMILESCCC(Br)Cc1cc(C)nc2ccccc12
InChIInChI=1S/C14H16BrN/c1-3-12(15)9-11-8-10(2)16-14-7-5-4-6-13(11)14/h4-8,12H,3,9H2,1-2H3
InChIKeyTULKIVXGRLONEW-UHFFFAOYSA-N
MW278.19 g/mol
LogP4.26
Rot. Bonds3

About 4-(2-bromobutyl)-2-methylquinoline

4-(2-bromobutyl)-2-methylquinoline (PubChem CID 63203840) has the molecular formula C14H16BrN and a molecular weight of 278.19 g/mol. Its IUPAC name is 4-(2-bromobutyl)-2-methylquinoline.

Molecular Properties

Compound Name4-(2-bromobutyl)-2-methylquinoline
PubChem CID63203840
Molecular FormulaC14H16BrN
Molecular Weight278.19 g/mol
Exact Mass277.05
IUPAC Name4-(2-bromobutyl)-2-methylquinoline
SMILESCCC(Br)Cc1cc(C)nc2ccccc12
InChIInChI=1S/C14H16BrN/c1-3-12(15)9-11-8-10(2)16-14-7-5-4-6-13(11)14/h4-8,12H,3,9H2,1-2H3
InChIKeyTULKIVXGRLONEW-UHFFFAOYSA-N
XLogP4.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylquinolin-4-yl)-2-sulfanylpropanoic acid
CID 79235361
1-(2-methylquinolin-4-yl)-N-propylbutan-2-amine
CID 55162398
3-methyl-1-(2-methylquinolin-4-yl)butan-2-ol
CID 63205399
4-(2-chloro-3,3-dimethylbutyl)-2-methylquinoline
CID 63530701
(2-methylquinolin-4-yl)methanethiol
CID 79885955
3-methyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
CID 79426193
2-methyl-N-[(2-methylquinolin-4-yl)methyl]pentan-3-amine
CID 78942769
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
(2-methylquinolin-4-yl)methanamine;dihydrochloride
CID 42946478
3,3-dimethyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
CID 83136004
4-hexyl-2-methylquinoline
CID 12861362
1-(2-methylquinolin-4-yl)hexan-3-one
CID 79429367

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromobutyl)-2-methylquinoline?
The IUPAC name of 4-(2-bromobutyl)-2-methylquinoline (CID 63203840) is 4-(2-bromobutyl)-2-methylquinoline.
What is the SMILES notation for 4-(2-bromobutyl)-2-methylquinoline?
The canonical SMILES for 4-(2-bromobutyl)-2-methylquinoline is CCC(Br)Cc1cc(C)nc2ccccc12.
What is the InChIKey of 4-(2-bromobutyl)-2-methylquinoline?
The InChIKey is TULKIVXGRLONEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN/c1-3-12(15)9-11-8-10(2)16-14-7-5-4-6-13(11)14/h4-8,12H,3,9H2,1-2H3.
What are the key properties of 4-(2-bromobutyl)-2-methylquinoline?
4-(2-bromobutyl)-2-methylquinoline has a molecular weight of 278.19 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromobutyl)-2-methylquinoline is sourced from PubChem (CID 63203840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).