6,8-dibromo-4-chloro-2-cyclopropylquinoline

C12H8Br2ClN — CID 63409162

IUPAC6,8-dibromo-4-chloro-2-cyclopropylquinoline
SMILESClc1cc(C2CC2)nc2c(Br)cc(Br)cc12
InChIInChI=1S/C12H8Br2ClN/c13-7-3-8-10(15)5-11(6-1-2-6)16-12(8)9(14)4-7/h3-6H,1-2H2
InChIKeyLOHNIVVMHNIWTP-UHFFFAOYSA-N
MW361.46 g/mol
LogP5.29
Rot. Bonds1

About 6,8-dibromo-4-chloro-2-cyclopropylquinoline

6,8-dibromo-4-chloro-2-cyclopropylquinoline (PubChem CID 63409162) has the molecular formula C12H8Br2ClN and a molecular weight of 361.46 g/mol. Its IUPAC name is 6,8-dibromo-4-chloro-2-cyclopropylquinoline.

Molecular Properties

Compound Name6,8-dibromo-4-chloro-2-cyclopropylquinoline
PubChem CID63409162
Molecular FormulaC12H8Br2ClN
Molecular Weight361.46 g/mol
Exact Mass358.87
IUPAC Name6,8-dibromo-4-chloro-2-cyclopropylquinoline
SMILESClc1cc(C2CC2)nc2c(Br)cc(Br)cc12
InChIInChI=1S/C12H8Br2ClN/c13-7-3-8-10(15)5-11(6-1-2-6)16-12(8)9(14)4-7/h3-6H,1-2H2
InChIKeyLOHNIVVMHNIWTP-UHFFFAOYSA-N
XLogP5.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.46
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-4-chloro-2-cyclopropylquinoline?
The IUPAC name of 6,8-dibromo-4-chloro-2-cyclopropylquinoline (CID 63409162) is 6,8-dibromo-4-chloro-2-cyclopropylquinoline.
What is the SMILES notation for 6,8-dibromo-4-chloro-2-cyclopropylquinoline?
The canonical SMILES for 6,8-dibromo-4-chloro-2-cyclopropylquinoline is Clc1cc(C2CC2)nc2c(Br)cc(Br)cc12.
What is the InChIKey of 6,8-dibromo-4-chloro-2-cyclopropylquinoline?
The InChIKey is LOHNIVVMHNIWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2ClN/c13-7-3-8-10(15)5-11(6-1-2-6)16-12(8)9(14)4-7/h3-6H,1-2H2.
What are the key properties of 6,8-dibromo-4-chloro-2-cyclopropylquinoline?
6,8-dibromo-4-chloro-2-cyclopropylquinoline has a molecular weight of 361.46 g/mol, XLogP of 5.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-4-chloro-2-cyclopropylquinoline is sourced from PubChem (CID 63409162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).