2-butyl-6-chloro-4-methylquinoline

C14H16ClN — CID 23624331

IUPAC2-butyl-6-chloro-4-methylquinoline
SMILESCCCCc1cc(C)c2cc(Cl)ccc2n1
InChIInChI=1S/C14H16ClN/c1-3-4-5-12-8-10(2)13-9-11(15)6-7-14(13)16-12/h6-9H,3-5H2,1-2H3
InChIKeyLBCOAUALMDZWHJ-UHFFFAOYSA-N
MW233.74 g/mol
LogP4.54
Rot. Bonds3

About 2-butyl-6-chloro-4-methylquinoline

2-butyl-6-chloro-4-methylquinoline (PubChem CID 23624331) has the molecular formula C14H16ClN and a molecular weight of 233.74 g/mol. Its IUPAC name is 2-butyl-6-chloro-4-methylquinoline.

Molecular Properties

Compound Name2-butyl-6-chloro-4-methylquinoline
PubChem CID23624331
Molecular FormulaC14H16ClN
Molecular Weight233.74 g/mol
Exact Mass233.10
IUPAC Name2-butyl-6-chloro-4-methylquinoline
SMILESCCCCc1cc(C)c2cc(Cl)ccc2n1
InChIInChI=1S/C14H16ClN/c1-3-4-5-12-8-10(2)13-9-11(15)6-7-14(13)16-12/h6-9H,3-5H2,1-2H3
InChIKeyLBCOAUALMDZWHJ-UHFFFAOYSA-N
XLogP4.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(7-chloro-4-methylquinolin-2-yl)butan-1-amine
CID 82577739
2-hexyl-4-methylquinoline
CID 504074
3-(6-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine
CID 82576605
2-[(2-dodecylphenyl)methyl]-4-methylquinoline
CID 21119624
2-chloro-6-hexyl-4-methylquinoline
CID 86217058
methyl 2-(6-butyl-4-methylquinolin-2-yl)acetate
CID 82575128
4-chloro-2-decylquinoline
CID 171487257
6-chloro-2-methyl-4-phenyl-3-propylquinoline
CID 2439854
6-butyl-4-chloro-2-ethylquinoline
CID 43668623
2-(6-chloro-4,8-dimethylquinolin-2-yl)ethanamine
CID 82575556
4-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]butan-1-amine
CID 82577769
6-chloro-3-heptyl-4-phenylquinolin-2-amine
CID 174265531

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-chloro-4-methylquinoline?
The IUPAC name of 2-butyl-6-chloro-4-methylquinoline (CID 23624331) is 2-butyl-6-chloro-4-methylquinoline.
What is the SMILES notation for 2-butyl-6-chloro-4-methylquinoline?
The canonical SMILES for 2-butyl-6-chloro-4-methylquinoline is CCCCc1cc(C)c2cc(Cl)ccc2n1.
What is the InChIKey of 2-butyl-6-chloro-4-methylquinoline?
The InChIKey is LBCOAUALMDZWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN/c1-3-4-5-12-8-10(2)13-9-11(15)6-7-14(13)16-12/h6-9H,3-5H2,1-2H3.
What are the key properties of 2-butyl-6-chloro-4-methylquinoline?
2-butyl-6-chloro-4-methylquinoline has a molecular weight of 233.74 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-chloro-4-methylquinoline is sourced from PubChem (CID 23624331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).