4-bromo-7-methoxy-3-propylcinnoline

C12H13BrN2O — CID 102266186

IUPAC4-bromo-7-methoxy-3-propylcinnoline
SMILESCCCc1nnc2cc(OC)ccc2c1Br
InChIInChI=1S/C12H13BrN2O/c1-3-4-10-12(13)9-6-5-8(16-2)7-11(9)15-14-10/h5-7H,3-4H2,1-2H3
InChIKeySQBWYZWSKJAOLG-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.35
Rot. Bonds3

About 4-bromo-7-methoxy-3-propylcinnoline

4-bromo-7-methoxy-3-propylcinnoline (PubChem CID 102266186) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 4-bromo-7-methoxy-3-propylcinnoline.

Molecular Properties

Compound Name4-bromo-7-methoxy-3-propylcinnoline
PubChem CID102266186
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name4-bromo-7-methoxy-3-propylcinnoline
SMILESCCCc1nnc2cc(OC)ccc2c1Br
InChIInChI=1S/C12H13BrN2O/c1-3-4-10-12(13)9-6-5-8(16-2)7-11(9)15-14-10/h5-7H,3-4H2,1-2H3
InChIKeySQBWYZWSKJAOLG-UHFFFAOYSA-N
XLogP3.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-methoxy-3-propylcinnoline?
The IUPAC name of 4-bromo-7-methoxy-3-propylcinnoline (CID 102266186) is 4-bromo-7-methoxy-3-propylcinnoline.
What is the SMILES notation for 4-bromo-7-methoxy-3-propylcinnoline?
The canonical SMILES for 4-bromo-7-methoxy-3-propylcinnoline is CCCc1nnc2cc(OC)ccc2c1Br.
What is the InChIKey of 4-bromo-7-methoxy-3-propylcinnoline?
The InChIKey is SQBWYZWSKJAOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-3-4-10-12(13)9-6-5-8(16-2)7-11(9)15-14-10/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-bromo-7-methoxy-3-propylcinnoline?
4-bromo-7-methoxy-3-propylcinnoline has a molecular weight of 281.15 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-methoxy-3-propylcinnoline is sourced from PubChem (CID 102266186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).