3-benzyl-6-bromo-4-chloro-2-methoxyquinoline

C17H13BrClNO — CID 59766854

IUPAC3-benzyl-6-bromo-4-chloro-2-methoxyquinoline
SMILESCOc1nc2ccc(Br)cc2c(Cl)c1Cc1ccccc1
InChIInChI=1S/C17H13BrClNO/c1-21-17-14(9-11-5-3-2-4-6-11)16(19)13-10-12(18)7-8-15(13)20-17/h2-8,10H,9H2,1H3
InChIKeySIODFJHFBWLOKV-UHFFFAOYSA-N
MW362.65 g/mol
LogP5.25
Rot. Bonds3

About 3-benzyl-6-bromo-4-chloro-2-methoxyquinoline

3-benzyl-6-bromo-4-chloro-2-methoxyquinoline (PubChem CID 59766854) has the molecular formula C17H13BrClNO and a molecular weight of 362.65 g/mol. Its IUPAC name is 3-benzyl-6-bromo-4-chloro-2-methoxyquinoline.

Molecular Properties

Compound Name3-benzyl-6-bromo-4-chloro-2-methoxyquinoline
PubChem CID59766854
Molecular FormulaC17H13BrClNO
Molecular Weight362.65 g/mol
Exact Mass360.99
IUPAC Name3-benzyl-6-bromo-4-chloro-2-methoxyquinoline
SMILESCOc1nc2ccc(Br)cc2c(Cl)c1Cc1ccccc1
InChIInChI=1S/C17H13BrClNO/c1-21-17-14(9-11-5-3-2-4-6-11)16(19)13-10-12(18)7-8-15(13)20-17/h2-8,10H,9H2,1H3
InChIKeySIODFJHFBWLOKV-UHFFFAOYSA-N
XLogP5.25
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.65
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-bromo-4-chloro-2-methoxyquinoline?
The IUPAC name of 3-benzyl-6-bromo-4-chloro-2-methoxyquinoline (CID 59766854) is 3-benzyl-6-bromo-4-chloro-2-methoxyquinoline.
What is the SMILES notation for 3-benzyl-6-bromo-4-chloro-2-methoxyquinoline?
The canonical SMILES for 3-benzyl-6-bromo-4-chloro-2-methoxyquinoline is COc1nc2ccc(Br)cc2c(Cl)c1Cc1ccccc1.
What is the InChIKey of 3-benzyl-6-bromo-4-chloro-2-methoxyquinoline?
The InChIKey is SIODFJHFBWLOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClNO/c1-21-17-14(9-11-5-3-2-4-6-11)16(19)13-10-12(18)7-8-15(13)20-17/h2-8,10H,9H2,1H3.
What are the key properties of 3-benzyl-6-bromo-4-chloro-2-methoxyquinoline?
3-benzyl-6-bromo-4-chloro-2-methoxyquinoline has a molecular weight of 362.65 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-bromo-4-chloro-2-methoxyquinoline is sourced from PubChem (CID 59766854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).