2,4-dichloro-3-methylquinoline

C10H7Cl2N — CID 817824

IUPAC2,4-dichloro-3-methylquinoline
SMILESCc1c(Cl)nc2ccccc2c1Cl
InChIInChI=1S/C10H7Cl2N/c1-6-9(11)7-4-2-3-5-8(7)13-10(6)12/h2-5H,1H3
InChIKeyNVZMNNRRENJIRV-UHFFFAOYSA-N
MW212.08 g/mol
LogP3.85
Rot. Bonds

About 2,4-dichloro-3-methylquinoline

2,4-dichloro-3-methylquinoline (PubChem CID 817824) has the molecular formula C10H7Cl2N and a molecular weight of 212.08 g/mol. Its IUPAC name is 2,4-dichloro-3-methylquinoline.

Molecular Properties

Compound Name2,4-dichloro-3-methylquinoline
PubChem CID817824
Molecular FormulaC10H7Cl2N
Molecular Weight212.08 g/mol
Exact Mass211.00
IUPAC Name2,4-dichloro-3-methylquinoline
SMILESCc1c(Cl)nc2ccccc2c1Cl
InChIInChI=1S/C10H7Cl2N/c1-6-9(11)7-4-2-3-5-8(7)13-10(6)12/h2-5H,1H3
InChIKeyNVZMNNRRENJIRV-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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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-methylquinoline?
The IUPAC name of 2,4-dichloro-3-methylquinoline (CID 817824) is 2,4-dichloro-3-methylquinoline.
What is the SMILES notation for 2,4-dichloro-3-methylquinoline?
The canonical SMILES for 2,4-dichloro-3-methylquinoline is Cc1c(Cl)nc2ccccc2c1Cl.
What is the InChIKey of 2,4-dichloro-3-methylquinoline?
The InChIKey is NVZMNNRRENJIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N/c1-6-9(11)7-4-2-3-5-8(7)13-10(6)12/h2-5H,1H3.
What are the key properties of 2,4-dichloro-3-methylquinoline?
2,4-dichloro-3-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-3-methylquinoline is sourced from PubChem (CID 817824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).