8-bromo-4-chloro-3-ethyl-5-fluoro-2-methylquinoline

C12H10BrClFN — CID 107628279

IUPAC8-bromo-4-chloro-3-ethyl-5-fluoro-2-methylquinoline
SMILESCCc1c(C)nc2c(Br)ccc(F)c2c1Cl
InChIInChI=1S/C12H10BrClFN/c1-3-7-6(2)16-12-8(13)4-5-9(15)10(12)11(7)14/h4-5H,3H2,1-2H3
InChIKeyKMZFCDNVOOWYGU-UHFFFAOYSA-N
MW302.57 g/mol
LogP4.66
Rot. Bonds1

About 8-bromo-4-chloro-3-ethyl-5-fluoro-2-methylquinoline

8-bromo-4-chloro-3-ethyl-5-fluoro-2-methylquinoline (PubChem CID 107628279) has the molecular formula C12H10BrClFN and a molecular weight of 302.57 g/mol. Its IUPAC name is 8-bromo-4-chloro-3-ethyl-5-fluoro-2-methylquinoline.

Molecular Properties

Compound Name8-bromo-4-chloro-3-ethyl-5-fluoro-2-methylquinoline
PubChem CID107628279
Molecular FormulaC12H10BrClFN
Molecular Weight302.57 g/mol
Exact Mass300.97
IUPAC Name8-bromo-4-chloro-3-ethyl-5-fluoro-2-methylquinoline
SMILESCCc1c(C)nc2c(Br)ccc(F)c2c1Cl
InChIInChI=1S/C12H10BrClFN/c1-3-7-6(2)16-12-8(13)4-5-9(15)10(12)11(7)14/h4-5H,3H2,1-2H3
InChIKeyKMZFCDNVOOWYGU-UHFFFAOYSA-N
XLogP4.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.57
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-chloro-3-ethyl-5-fluoro-2-methylquinoline?
The IUPAC name of 8-bromo-4-chloro-3-ethyl-5-fluoro-2-methylquinoline (CID 107628279) is 8-bromo-4-chloro-3-ethyl-5-fluoro-2-methylquinoline.
What is the SMILES notation for 8-bromo-4-chloro-3-ethyl-5-fluoro-2-methylquinoline?
The canonical SMILES for 8-bromo-4-chloro-3-ethyl-5-fluoro-2-methylquinoline is CCc1c(C)nc2c(Br)ccc(F)c2c1Cl.
What is the InChIKey of 8-bromo-4-chloro-3-ethyl-5-fluoro-2-methylquinoline?
The InChIKey is KMZFCDNVOOWYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFN/c1-3-7-6(2)16-12-8(13)4-5-9(15)10(12)11(7)14/h4-5H,3H2,1-2H3.
What are the key properties of 8-bromo-4-chloro-3-ethyl-5-fluoro-2-methylquinoline?
8-bromo-4-chloro-3-ethyl-5-fluoro-2-methylquinoline has a molecular weight of 302.57 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-chloro-3-ethyl-5-fluoro-2-methylquinoline is sourced from PubChem (CID 107628279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).