8-bromo-4-chloro-2-methyl-3-propylquinoline

C13H13BrClN — CID 702518

IUPAC8-bromo-4-chloro-2-methyl-3-propylquinoline
SMILESCCCc1c(C)nc2c(Br)cccc2c1Cl
InChIInChI=1S/C13H13BrClN/c1-3-5-9-8(2)16-13-10(12(9)15)6-4-7-11(13)14/h4,6-7H,3,5H2,1-2H3
InChIKeyDPKWYUMSUIDWKH-UHFFFAOYSA-N
MW298.61 g/mol
LogP4.91
Rot. Bonds2

About 8-bromo-4-chloro-2-methyl-3-propylquinoline

8-bromo-4-chloro-2-methyl-3-propylquinoline (PubChem CID 702518) has the molecular formula C13H13BrClN and a molecular weight of 298.61 g/mol. Its IUPAC name is 8-bromo-4-chloro-2-methyl-3-propylquinoline.

Molecular Properties

Compound Name8-bromo-4-chloro-2-methyl-3-propylquinoline
PubChem CID702518
Molecular FormulaC13H13BrClN
Molecular Weight298.61 g/mol
Exact Mass296.99
IUPAC Name8-bromo-4-chloro-2-methyl-3-propylquinoline
SMILESCCCc1c(C)nc2c(Br)cccc2c1Cl
InChIInChI=1S/C13H13BrClN/c1-3-5-9-8(2)16-13-10(12(9)15)6-4-7-11(13)14/h4,6-7H,3,5H2,1-2H3
InChIKeyDPKWYUMSUIDWKH-UHFFFAOYSA-N
XLogP4.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.61
LogP ≤ 54.91
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-2-methyl-3-propylquinoline?
The IUPAC name of 8-bromo-4-chloro-2-methyl-3-propylquinoline (CID 702518) is 8-bromo-4-chloro-2-methyl-3-propylquinoline.
What is the SMILES notation for 8-bromo-4-chloro-2-methyl-3-propylquinoline?
The canonical SMILES for 8-bromo-4-chloro-2-methyl-3-propylquinoline is CCCc1c(C)nc2c(Br)cccc2c1Cl.
What is the InChIKey of 8-bromo-4-chloro-2-methyl-3-propylquinoline?
The InChIKey is DPKWYUMSUIDWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN/c1-3-5-9-8(2)16-13-10(12(9)15)6-4-7-11(13)14/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 8-bromo-4-chloro-2-methyl-3-propylquinoline?
8-bromo-4-chloro-2-methyl-3-propylquinoline has a molecular weight of 298.61 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-chloro-2-methyl-3-propylquinoline is sourced from PubChem (CID 702518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).