7-bromo-2-methoxy-3-methylquinoline

C11H10BrNO — CID 59819759

IUPAC7-bromo-2-methoxy-3-methylquinoline
SMILESCOc1nc2cc(Br)ccc2cc1C
InChIInChI=1S/C11H10BrNO/c1-7-5-8-3-4-9(12)6-10(8)13-11(7)14-2/h3-6H,1-2H3
InChIKeyCIKMODSIFHTBMM-UHFFFAOYSA-N
MW252.11 g/mol
LogP3.31
Rot. Bonds1

About 7-bromo-2-methoxy-3-methylquinoline

7-bromo-2-methoxy-3-methylquinoline (PubChem CID 59819759) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is 7-bromo-2-methoxy-3-methylquinoline.

Molecular Properties

Compound Name7-bromo-2-methoxy-3-methylquinoline
PubChem CID59819759
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name7-bromo-2-methoxy-3-methylquinoline
SMILESCOc1nc2cc(Br)ccc2cc1C
InChIInChI=1S/C11H10BrNO/c1-7-5-8-3-4-9(12)6-10(8)13-11(7)14-2/h3-6H,1-2H3
InChIKeyCIKMODSIFHTBMM-UHFFFAOYSA-N
XLogP3.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methoxy-3-methylquinoline?
The IUPAC name of 7-bromo-2-methoxy-3-methylquinoline (CID 59819759) is 7-bromo-2-methoxy-3-methylquinoline.
What is the SMILES notation for 7-bromo-2-methoxy-3-methylquinoline?
The canonical SMILES for 7-bromo-2-methoxy-3-methylquinoline is COc1nc2cc(Br)ccc2cc1C.
What is the InChIKey of 7-bromo-2-methoxy-3-methylquinoline?
The InChIKey is CIKMODSIFHTBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c1-7-5-8-3-4-9(12)6-10(8)13-11(7)14-2/h3-6H,1-2H3.
What are the key properties of 7-bromo-2-methoxy-3-methylquinoline?
7-bromo-2-methoxy-3-methylquinoline has a molecular weight of 252.11 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-methoxy-3-methylquinoline is sourced from PubChem (CID 59819759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).