5-bromo-4-chloro-2-cyclopropyl-6,8-difluoroquinoline

C12H7BrClF2N — CID 102854761

IUPAC5-bromo-4-chloro-2-cyclopropyl-6,8-difluoroquinoline
SMILESFc1cc(F)c2nc(C3CC3)cc(Cl)c2c1Br
InChIInChI=1S/C12H7BrClF2N/c13-11-7(15)4-8(16)12-10(11)6(14)3-9(17-12)5-1-2-5/h3-5H,1-2H2
InChIKeyWZWCTOXNCIFPOJ-UHFFFAOYSA-N
MW318.55 g/mol
LogP4.81
Rot. Bonds1

About 5-bromo-4-chloro-2-cyclopropyl-6,8-difluoroquinoline

5-bromo-4-chloro-2-cyclopropyl-6,8-difluoroquinoline (PubChem CID 102854761) has the molecular formula C12H7BrClF2N and a molecular weight of 318.55 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-cyclopropyl-6,8-difluoroquinoline.

Molecular Properties

Compound Name5-bromo-4-chloro-2-cyclopropyl-6,8-difluoroquinoline
PubChem CID102854761
Molecular FormulaC12H7BrClF2N
Molecular Weight318.55 g/mol
Exact Mass316.94
IUPAC Name5-bromo-4-chloro-2-cyclopropyl-6,8-difluoroquinoline
SMILESFc1cc(F)c2nc(C3CC3)cc(Cl)c2c1Br
InChIInChI=1S/C12H7BrClF2N/c13-11-7(15)4-8(16)12-10(11)6(14)3-9(17-12)5-1-2-5/h3-5H,1-2H2
InChIKeyWZWCTOXNCIFPOJ-UHFFFAOYSA-N
XLogP4.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.55
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-cyclopentyl-6,8-difluoro-N-methylquinolin-4-amine
CID 102854971
5-bromo-4-chloro-6,8-difluoro-2-(trifluoromethyl)quinoline
CID 102854746
5-bromo-4,8-dichloro-2-cyclopropylquinoline
CID 63408960
4,5,8-trichloro-2-cyclopropylquinoline
CID 63408649
6,8-dibromo-4-chloro-2-cyclopropylquinoline
CID 63409162
5-bromo-2-cyclopentyl-6-fluoro-N,8-dimethylquinolin-4-amine
CID 107593992
5-chloro-2-cyclopropyl-8-fluoroquinoline-4-carboxylic acid
CID 60984950
6-chloro-2-cyclopropyl-8-fluoro-N-methylquinolin-4-amine
CID 63357835
6-bromo-2-cyclopropyl-5,8-difluoro-N-propylquinolin-4-amine
CID 107616783
5-bromo-4-chloro-6-fluoro-8-methyl-2-phenylquinoline
CID 107593557
8-chloro-2-cyclopropyl-6-fluoroquinolin-4-amine
CID 63358243
4-bromo-2-chloro-6-cyclopropylpyrimidine
CID 130056238

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-cyclopropyl-6,8-difluoroquinoline?
The IUPAC name of 5-bromo-4-chloro-2-cyclopropyl-6,8-difluoroquinoline (CID 102854761) is 5-bromo-4-chloro-2-cyclopropyl-6,8-difluoroquinoline.
What is the SMILES notation for 5-bromo-4-chloro-2-cyclopropyl-6,8-difluoroquinoline?
The canonical SMILES for 5-bromo-4-chloro-2-cyclopropyl-6,8-difluoroquinoline is Fc1cc(F)c2nc(C3CC3)cc(Cl)c2c1Br.
What is the InChIKey of 5-bromo-4-chloro-2-cyclopropyl-6,8-difluoroquinoline?
The InChIKey is WZWCTOXNCIFPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF2N/c13-11-7(15)4-8(16)12-10(11)6(14)3-9(17-12)5-1-2-5/h3-5H,1-2H2.
What are the key properties of 5-bromo-4-chloro-2-cyclopropyl-6,8-difluoroquinoline?
5-bromo-4-chloro-2-cyclopropyl-6,8-difluoroquinoline has a molecular weight of 318.55 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-cyclopropyl-6,8-difluoroquinoline is sourced from PubChem (CID 102854761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).