5-bromo-4,8-dichloroquinoline

C9H4BrCl2N — CID 62908568

IUPAC5-bromo-4,8-dichloroquinoline
SMILESClc1ccc(Br)c2c(Cl)ccnc12
InChIInChI=1S/C9H4BrCl2N/c10-5-1-2-7(12)9-8(5)6(11)3-4-13-9/h1-4H
InChIKeyDCIXFDGOPPFXPG-UHFFFAOYSA-N
MW276.95 g/mol
LogP4.30
Rot. Bonds

About 5-bromo-4,8-dichloroquinoline

5-bromo-4,8-dichloroquinoline (PubChem CID 62908568) has the molecular formula C9H4BrCl2N and a molecular weight of 276.95 g/mol. Its IUPAC name is 5-bromo-4,8-dichloroquinoline.

Molecular Properties

Compound Name5-bromo-4,8-dichloroquinoline
PubChem CID62908568
Molecular FormulaC9H4BrCl2N
Molecular Weight276.95 g/mol
Exact Mass274.89
IUPAC Name5-bromo-4,8-dichloroquinoline
SMILESClc1ccc(Br)c2c(Cl)ccnc12
InChIInChI=1S/C9H4BrCl2N/c10-5-1-2-7(12)9-8(5)6(11)3-4-13-9/h1-4H
InChIKeyDCIXFDGOPPFXPG-UHFFFAOYSA-N
XLogP4.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.95
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-bromo-4,8-dichloroquinoline 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

(5-bromo-8-chloroquinolin-4-yl)hydrazine
CID 62910283
4,5,8-tribromoquinoline
CID 114764035
2-amino-3-(5-bromo-4-chloroquinolin-8-yl)propanoic acid
CID 146585097
4,5-dichloroquinolin-8-amine
CID 19592780
5-bromo-4,8-dichloro-2-cyclopropylquinoline
CID 63408960
8-chloropyrido[2,3-b]pyrazine
CID 77230570
4-bromo-7,8-dichloroquinoline
CID 39346133
4,5-dichloro-8-methoxyquinoline
CID 43531957
5-bromo-4,8-dichloro-2-phenylquinoline
CID 63408837
4,7-dichloro-5,6-dimethoxy-1,10-phenanthroline
CID 12065047
4,8-dibromo-5-fluoroquinoline
CID 107627841
4,6-dibromo-5-chloro-8-methylquinoline
CID 164661313

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4,8-dichloroquinoline?
The IUPAC name of 5-bromo-4,8-dichloroquinoline (CID 62908568) is 5-bromo-4,8-dichloroquinoline.
What is the SMILES notation for 5-bromo-4,8-dichloroquinoline?
The canonical SMILES for 5-bromo-4,8-dichloroquinoline is Clc1ccc(Br)c2c(Cl)ccnc12.
What is the InChIKey of 5-bromo-4,8-dichloroquinoline?
The InChIKey is DCIXFDGOPPFXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrCl2N/c10-5-1-2-7(12)9-8(5)6(11)3-4-13-9/h1-4H.
What are the key properties of 5-bromo-4,8-dichloroquinoline?
5-bromo-4,8-dichloroquinoline has a molecular weight of 276.95 g/mol, XLogP of 4.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4,8-dichloroquinoline is sourced from PubChem (CID 62908568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).