6-bromo-7-chloro-3-ethoxy-1-methylpyrrolo[3,2-c]quinoline

C14H12BrClN2O — CID 156882044

IUPAC6-bromo-7-chloro-3-ethoxy-1-methylpyrrolo[3,2-c]quinoline
SMILESCCOc1cn(C)c2c1cnc1c(Br)c(Cl)ccc12
InChIInChI=1S/C14H12BrClN2O/c1-3-19-11-7-18(2)14-8-4-5-10(16)12(15)13(8)17-6-9(11)14/h4-7H,3H2,1-2H3
InChIKeyRSJIXDVJRRIGNP-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.54
Rot. Bonds2

About 6-bromo-7-chloro-3-ethoxy-1-methylpyrrolo[3,2-c]quinoline

6-bromo-7-chloro-3-ethoxy-1-methylpyrrolo[3,2-c]quinoline (PubChem CID 156882044) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is 6-bromo-7-chloro-3-ethoxy-1-methylpyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name6-bromo-7-chloro-3-ethoxy-1-methylpyrrolo[3,2-c]quinoline
PubChem CID156882044
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC Name6-bromo-7-chloro-3-ethoxy-1-methylpyrrolo[3,2-c]quinoline
SMILESCCOc1cn(C)c2c1cnc1c(Br)c(Cl)ccc12
InChIInChI=1S/C14H12BrClN2O/c1-3-19-11-7-18(2)14-8-4-5-10(16)12(15)13(8)17-6-9(11)14/h4-7H,3H2,1-2H3
InChIKeyRSJIXDVJRRIGNP-UHFFFAOYSA-N
XLogP4.54
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-chloro-3-ethoxy-1-methylpyrrolo[3,2-c]quinoline?
The IUPAC name of 6-bromo-7-chloro-3-ethoxy-1-methylpyrrolo[3,2-c]quinoline (CID 156882044) is 6-bromo-7-chloro-3-ethoxy-1-methylpyrrolo[3,2-c]quinoline.
What is the SMILES notation for 6-bromo-7-chloro-3-ethoxy-1-methylpyrrolo[3,2-c]quinoline?
The canonical SMILES for 6-bromo-7-chloro-3-ethoxy-1-methylpyrrolo[3,2-c]quinoline is CCOc1cn(C)c2c1cnc1c(Br)c(Cl)ccc12.
What is the InChIKey of 6-bromo-7-chloro-3-ethoxy-1-methylpyrrolo[3,2-c]quinoline?
The InChIKey is RSJIXDVJRRIGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c1-3-19-11-7-18(2)14-8-4-5-10(16)12(15)13(8)17-6-9(11)14/h4-7H,3H2,1-2H3.
What are the key properties of 6-bromo-7-chloro-3-ethoxy-1-methylpyrrolo[3,2-c]quinoline?
6-bromo-7-chloro-3-ethoxy-1-methylpyrrolo[3,2-c]quinoline has a molecular weight of 339.62 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-chloro-3-ethoxy-1-methylpyrrolo[3,2-c]quinoline is sourced from PubChem (CID 156882044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).