5-bromo-4,8-dichloro-2-cyclopropylquinoline

C12H8BrCl2N — CID 63408960

IUPAC5-bromo-4,8-dichloro-2-cyclopropylquinoline
SMILESClc1ccc(Br)c2c(Cl)cc(C3CC3)nc12
InChIInChI=1S/C12H8BrCl2N/c13-7-3-4-8(14)12-11(7)9(15)5-10(16-12)6-1-2-6/h3-6H,1-2H2
InChIKeyDHOZGSNMKPCSGI-UHFFFAOYSA-N
MW317.01 g/mol
LogP5.18
Rot. Bonds1

About 5-bromo-4,8-dichloro-2-cyclopropylquinoline

5-bromo-4,8-dichloro-2-cyclopropylquinoline (PubChem CID 63408960) has the molecular formula C12H8BrCl2N and a molecular weight of 317.01 g/mol. Its IUPAC name is 5-bromo-4,8-dichloro-2-cyclopropylquinoline.

Molecular Properties

Compound Name5-bromo-4,8-dichloro-2-cyclopropylquinoline
PubChem CID63408960
Molecular FormulaC12H8BrCl2N
Molecular Weight317.01 g/mol
Exact Mass314.92
IUPAC Name5-bromo-4,8-dichloro-2-cyclopropylquinoline
SMILESClc1ccc(Br)c2c(Cl)cc(C3CC3)nc12
InChIInChI=1S/C12H8BrCl2N/c13-7-3-4-8(14)12-11(7)9(15)5-10(16-12)6-1-2-6/h3-6H,1-2H2
InChIKeyDHOZGSNMKPCSGI-UHFFFAOYSA-N
XLogP5.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.01
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4,8-dichloro-2-cyclopropylquinoline?
The IUPAC name of 5-bromo-4,8-dichloro-2-cyclopropylquinoline (CID 63408960) is 5-bromo-4,8-dichloro-2-cyclopropylquinoline.
What is the SMILES notation for 5-bromo-4,8-dichloro-2-cyclopropylquinoline?
The canonical SMILES for 5-bromo-4,8-dichloro-2-cyclopropylquinoline is Clc1ccc(Br)c2c(Cl)cc(C3CC3)nc12.
What is the InChIKey of 5-bromo-4,8-dichloro-2-cyclopropylquinoline?
The InChIKey is DHOZGSNMKPCSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2N/c13-7-3-4-8(14)12-11(7)9(15)5-10(16-12)6-1-2-6/h3-6H,1-2H2.
What are the key properties of 5-bromo-4,8-dichloro-2-cyclopropylquinoline?
5-bromo-4,8-dichloro-2-cyclopropylquinoline has a molecular weight of 317.01 g/mol, XLogP of 5.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4,8-dichloro-2-cyclopropylquinoline is sourced from PubChem (CID 63408960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).