3-bromo-4-chloro-6-cyclopropylquinoline

C12H9BrClN — CID 164647783

IUPAC3-bromo-4-chloro-6-cyclopropylquinoline
SMILESClc1c(Br)cnc2ccc(C3CC3)cc12
InChIInChI=1S/C12H9BrClN/c13-10-6-15-11-4-3-8(7-1-2-7)5-9(11)12(10)14/h3-7H,1-2H2
InChIKeyPTCOWLMCXXBFAF-UHFFFAOYSA-N
MW282.57 g/mol
LogP4.53
Rot. Bonds1

About 3-bromo-4-chloro-6-cyclopropylquinoline

3-bromo-4-chloro-6-cyclopropylquinoline (PubChem CID 164647783) has the molecular formula C12H9BrClN and a molecular weight of 282.57 g/mol. Its IUPAC name is 3-bromo-4-chloro-6-cyclopropylquinoline.

Molecular Properties

Compound Name3-bromo-4-chloro-6-cyclopropylquinoline
PubChem CID164647783
Molecular FormulaC12H9BrClN
Molecular Weight282.57 g/mol
Exact Mass280.96
IUPAC Name3-bromo-4-chloro-6-cyclopropylquinoline
SMILESClc1c(Br)cnc2ccc(C3CC3)cc12
InChIInChI=1S/C12H9BrClN/c13-10-6-15-11-4-3-8(7-1-2-7)5-9(11)12(10)14/h3-7H,1-2H2
InChIKeyPTCOWLMCXXBFAF-UHFFFAOYSA-N
XLogP4.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.57
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-6-cyclopropylquinoline?
The IUPAC name of 3-bromo-4-chloro-6-cyclopropylquinoline (CID 164647783) is 3-bromo-4-chloro-6-cyclopropylquinoline.
What is the SMILES notation for 3-bromo-4-chloro-6-cyclopropylquinoline?
The canonical SMILES for 3-bromo-4-chloro-6-cyclopropylquinoline is Clc1c(Br)cnc2ccc(C3CC3)cc12.
What is the InChIKey of 3-bromo-4-chloro-6-cyclopropylquinoline?
The InChIKey is PTCOWLMCXXBFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN/c13-10-6-15-11-4-3-8(7-1-2-7)5-9(11)12(10)14/h3-7H,1-2H2.
What are the key properties of 3-bromo-4-chloro-6-cyclopropylquinoline?
3-bromo-4-chloro-6-cyclopropylquinoline has a molecular weight of 282.57 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-6-cyclopropylquinoline is sourced from PubChem (CID 164647783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).