4,5-dichloro-8-methyl-2-propan-2-ylquinoline

C13H13Cl2N — CID 43668547

IUPAC4,5-dichloro-8-methyl-2-propan-2-ylquinoline
SMILESCc1ccc(Cl)c2c(Cl)cc(C(C)C)nc12
InChIInChI=1S/C13H13Cl2N/c1-7(2)11-6-10(15)12-9(14)5-4-8(3)13(12)16-11/h4-7H,1-3H3
InChIKeyYMFQQWQDLMRILC-UHFFFAOYSA-N
MW254.16 g/mol
LogP4.97
Rot. Bonds1

About 4,5-dichloro-8-methyl-2-propan-2-ylquinoline

4,5-dichloro-8-methyl-2-propan-2-ylquinoline (PubChem CID 43668547) has the molecular formula C13H13Cl2N and a molecular weight of 254.16 g/mol. Its IUPAC name is 4,5-dichloro-8-methyl-2-propan-2-ylquinoline.

Molecular Properties

Compound Name4,5-dichloro-8-methyl-2-propan-2-ylquinoline
PubChem CID43668547
Molecular FormulaC13H13Cl2N
Molecular Weight254.16 g/mol
Exact Mass253.04
IUPAC Name4,5-dichloro-8-methyl-2-propan-2-ylquinoline
SMILESCc1ccc(Cl)c2c(Cl)cc(C(C)C)nc12
InChIInChI=1S/C13H13Cl2N/c1-7(2)11-6-10(15)12-9(14)5-4-8(3)13(12)16-11/h4-7H,1-3H3
InChIKeyYMFQQWQDLMRILC-UHFFFAOYSA-N
XLogP4.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.16
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,5-dichloro-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

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-8-methyl-2-propan-2-ylquinoline?
The IUPAC name of 4,5-dichloro-8-methyl-2-propan-2-ylquinoline (CID 43668547) is 4,5-dichloro-8-methyl-2-propan-2-ylquinoline.
What is the SMILES notation for 4,5-dichloro-8-methyl-2-propan-2-ylquinoline?
The canonical SMILES for 4,5-dichloro-8-methyl-2-propan-2-ylquinoline is Cc1ccc(Cl)c2c(Cl)cc(C(C)C)nc12.
What is the InChIKey of 4,5-dichloro-8-methyl-2-propan-2-ylquinoline?
The InChIKey is YMFQQWQDLMRILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N/c1-7(2)11-6-10(15)12-9(14)5-4-8(3)13(12)16-11/h4-7H,1-3H3.
What are the key properties of 4,5-dichloro-8-methyl-2-propan-2-ylquinoline?
4,5-dichloro-8-methyl-2-propan-2-ylquinoline has a molecular weight of 254.16 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-8-methyl-2-propan-2-ylquinoline is sourced from PubChem (CID 43668547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).