4-chloro-8-methyl-2-propan-2-ylquinoline

C13H14ClN — CID 43668842

IUPAC4-chloro-8-methyl-2-propan-2-ylquinoline
SMILESCc1cccc2c(Cl)cc(C(C)C)nc12
InChIInChI=1S/C13H14ClN/c1-8(2)12-7-11(14)10-6-4-5-9(3)13(10)15-12/h4-8H,1-3H3
InChIKeyAZFLJSBAGNLOJW-UHFFFAOYSA-N
MW219.72 g/mol
LogP4.32
Rot. Bonds1

About 4-chloro-8-methyl-2-propan-2-ylquinoline

4-chloro-8-methyl-2-propan-2-ylquinoline (PubChem CID 43668842) has the molecular formula C13H14ClN and a molecular weight of 219.72 g/mol. Its IUPAC name is 4-chloro-8-methyl-2-propan-2-ylquinoline.

Molecular Properties

Compound Name4-chloro-8-methyl-2-propan-2-ylquinoline
PubChem CID43668842
Molecular FormulaC13H14ClN
Molecular Weight219.72 g/mol
Exact Mass219.08
IUPAC Name4-chloro-8-methyl-2-propan-2-ylquinoline
SMILESCc1cccc2c(Cl)cc(C(C)C)nc12
InChIInChI=1S/C13H14ClN/c1-8(2)12-7-11(14)10-6-4-5-9(3)13(10)15-12/h4-8H,1-3H3
InChIKeyAZFLJSBAGNLOJW-UHFFFAOYSA-N
XLogP4.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.72
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-chloro-8-methyl-2-propan-2-ylquinoline 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

8-methyl-2-propan-2-ylquinolin-4-amine
CID 62198205
2,4-dichloro-8-methylquinoline
CID 2748593
4,5-dichloro-8-methyl-2-propan-2-ylquinoline
CID 43668547
(8-methyl-2-propan-2-ylquinolin-4-yl)methanamine
CID 82447883
2-(8-methyl-2-propan-2-ylquinolin-4-yl)propan-2-ol
CID 82447884
1-(8-methyl-2-propan-2-ylquinolin-4-yl)ethanone
CID 82447892
4,8-dichloro-6-methyl-2-propan-2-ylquinoline
CID 43668494
N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]ethanamine
CID 82447866
N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine
CID 82447872
1-(8-chloro-2-propan-2-ylquinolin-4-yl)ethanone
CID 82448971
4,5,6,8-tetrachloro-2-propan-2-ylquinoline
CID 43668528
N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]propan-2-amine
CID 82448950

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-methyl-2-propan-2-ylquinoline?
The IUPAC name of 4-chloro-8-methyl-2-propan-2-ylquinoline (CID 43668842) is 4-chloro-8-methyl-2-propan-2-ylquinoline.
What is the SMILES notation for 4-chloro-8-methyl-2-propan-2-ylquinoline?
The canonical SMILES for 4-chloro-8-methyl-2-propan-2-ylquinoline is Cc1cccc2c(Cl)cc(C(C)C)nc12.
What is the InChIKey of 4-chloro-8-methyl-2-propan-2-ylquinoline?
The InChIKey is AZFLJSBAGNLOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN/c1-8(2)12-7-11(14)10-6-4-5-9(3)13(10)15-12/h4-8H,1-3H3.
What are the key properties of 4-chloro-8-methyl-2-propan-2-ylquinoline?
4-chloro-8-methyl-2-propan-2-ylquinoline has a molecular weight of 219.72 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-methyl-2-propan-2-ylquinoline is sourced from PubChem (CID 43668842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).