2,4-dichloro-8-methylquinoline

C10H7Cl2N — CID 2748593

IUPAC2,4-dichloro-8-methylquinoline
SMILESCc1cccc2c(Cl)cc(Cl)nc12
InChIInChI=1S/C10H7Cl2N/c1-6-3-2-4-7-8(11)5-9(12)13-10(6)7/h2-5H,1H3
InChIKeyISGLBSSASWGQMU-UHFFFAOYSA-N
MW212.08 g/mol
LogP3.85
Rot. Bonds

About 2,4-dichloro-8-methylquinoline

2,4-dichloro-8-methylquinoline (PubChem CID 2748593) has the molecular formula C10H7Cl2N and a molecular weight of 212.08 g/mol. Its IUPAC name is 2,4-dichloro-8-methylquinoline.

Molecular Properties

Compound Name2,4-dichloro-8-methylquinoline
PubChem CID2748593
Molecular FormulaC10H7Cl2N
Molecular Weight212.08 g/mol
Exact Mass211.00
IUPAC Name2,4-dichloro-8-methylquinoline
SMILESCc1cccc2c(Cl)cc(Cl)nc12
InChIInChI=1S/C10H7Cl2N/c1-6-3-2-4-7-8(11)5-9(12)13-10(6)7/h2-5H,1H3
InChIKeyISGLBSSASWGQMU-UHFFFAOYSA-N
XLogP3.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.08
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Acridine
CID 9215
2-Methylquinoline
CID 7060
2,6-Dimethylquinoline
CID 13414
2-Phenylquinoline
CID 71545
4,7-Dichloroquinoline
CID 6866
2,4-Dimethylquinoline
CID 14536
6-Chloroquinoline
CID 69163
Acridine, 1,2,3,4-tetrahydro-9-amino-7-chloro-
CID 22493
8-Chloroquinoline
CID 69139
9-Chloro-1,2,3,4-tetrahydroacridine
CID 21495
9-Methylacridine
CID 11913
9-Chloroacridine
CID 71013

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-8-methylquinoline?
The IUPAC name of 2,4-dichloro-8-methylquinoline (CID 2748593) is 2,4-dichloro-8-methylquinoline.
What is the SMILES notation for 2,4-dichloro-8-methylquinoline?
The canonical SMILES for 2,4-dichloro-8-methylquinoline is Cc1cccc2c(Cl)cc(Cl)nc12.
What is the InChIKey of 2,4-dichloro-8-methylquinoline?
The InChIKey is ISGLBSSASWGQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N/c1-6-3-2-4-7-8(11)5-9(12)13-10(6)7/h2-5H,1H3.
What are the key properties of 2,4-dichloro-8-methylquinoline?
2,4-dichloro-8-methylquinoline has a molecular weight of 212.08 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-8-methylquinoline is sourced from PubChem (CID 2748593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).