7-bromo-4-chloro-8-methyl-2-(2-methylpropyl)quinoline

C14H15BrClN — CID 107628134

IUPAC7-bromo-4-chloro-8-methyl-2-(2-methylpropyl)quinoline
SMILESCc1c(Br)ccc2c(Cl)cc(CC(C)C)nc12
InChIInChI=1S/C14H15BrClN/c1-8(2)6-10-7-13(16)11-4-5-12(15)9(3)14(11)17-10/h4-5,7-8H,6H2,1-3H3
InChIKeyNKBDETMAJPWWBX-UHFFFAOYSA-N
MW312.64 g/mol
LogP5.16
Rot. Bonds2

About 7-bromo-4-chloro-8-methyl-2-(2-methylpropyl)quinoline

7-bromo-4-chloro-8-methyl-2-(2-methylpropyl)quinoline (PubChem CID 107628134) has the molecular formula C14H15BrClN and a molecular weight of 312.64 g/mol. Its IUPAC name is 7-bromo-4-chloro-8-methyl-2-(2-methylpropyl)quinoline.

Molecular Properties

Compound Name7-bromo-4-chloro-8-methyl-2-(2-methylpropyl)quinoline
PubChem CID107628134
Molecular FormulaC14H15BrClN
Molecular Weight312.64 g/mol
Exact Mass311.01
IUPAC Name7-bromo-4-chloro-8-methyl-2-(2-methylpropyl)quinoline
SMILESCc1c(Br)ccc2c(Cl)cc(CC(C)C)nc12
InChIInChI=1S/C14H15BrClN/c1-8(2)6-10-7-13(16)11-4-5-12(15)9(3)14(11)17-10/h4-5,7-8H,6H2,1-3H3
InChIKeyNKBDETMAJPWWBX-UHFFFAOYSA-N
XLogP5.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.64
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5,8-dibromo-4-chloro-2-ethylquinoline
CID 63408954
2-(4-bromo-3-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine
CID 81436026
8-bromo-4-chloro-2-ethyl-5-methylquinoline
CID 82766813
4-chloro-2-(chloromethyl)-6-(2-methylpropyl)pyrimidine
CID 79421610
2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-(2-methylpropyl)pyrimidine
CID 102842725
7-bromo-2,4-dichloro-8-methoxyquinoline
CID 162751085
7-bromo-4-chloro-2-(2,4-dichlorophenyl)-8-methylquinazoline
CID 114591566
7-bromo-2-(methoxymethyl)-N,8-dimethylquinolin-4-amine
CID 107628624
2,4-dichloro-7,8-dimethylquinoline
CID 82581103
4-chloro-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidine
CID 81313415
4-chloro-2-(4-chloro-2-methylphenyl)-6-(2-methylpropyl)pyrimidine
CID 114076086
8-bromo-N-methyl-2-(2-methylpropyl)quinoline-5-carboxamide
CID 123630595

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloro-8-methyl-2-(2-methylpropyl)quinoline?
The IUPAC name of 7-bromo-4-chloro-8-methyl-2-(2-methylpropyl)quinoline (CID 107628134) is 7-bromo-4-chloro-8-methyl-2-(2-methylpropyl)quinoline.
What is the SMILES notation for 7-bromo-4-chloro-8-methyl-2-(2-methylpropyl)quinoline?
The canonical SMILES for 7-bromo-4-chloro-8-methyl-2-(2-methylpropyl)quinoline is Cc1c(Br)ccc2c(Cl)cc(CC(C)C)nc12.
What is the InChIKey of 7-bromo-4-chloro-8-methyl-2-(2-methylpropyl)quinoline?
The InChIKey is NKBDETMAJPWWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN/c1-8(2)6-10-7-13(16)11-4-5-12(15)9(3)14(11)17-10/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 7-bromo-4-chloro-8-methyl-2-(2-methylpropyl)quinoline?
7-bromo-4-chloro-8-methyl-2-(2-methylpropyl)quinoline has a molecular weight of 312.64 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-chloro-8-methyl-2-(2-methylpropyl)quinoline is sourced from PubChem (CID 107628134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).