4-bromo-7-methoxy-6-methylcinnoline

C10H9BrN2O — CID 53415018

IUPAC4-bromo-7-methoxy-6-methylcinnoline
SMILESCOc1cc2nncc(Br)c2cc1C
InChIInChI=1S/C10H9BrN2O/c1-6-3-7-8(11)5-12-13-9(7)4-10(6)14-2/h3-5H,1-2H3
InChIKeyKLLGORYTFQAOPI-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.71
Rot. Bonds1

About 4-bromo-7-methoxy-6-methylcinnoline

4-bromo-7-methoxy-6-methylcinnoline (PubChem CID 53415018) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 4-bromo-7-methoxy-6-methylcinnoline.

Molecular Properties

Compound Name4-bromo-7-methoxy-6-methylcinnoline
PubChem CID53415018
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name4-bromo-7-methoxy-6-methylcinnoline
SMILESCOc1cc2nncc(Br)c2cc1C
InChIInChI=1S/C10H9BrN2O/c1-6-3-7-8(11)5-12-13-9(7)4-10(6)14-2/h3-5H,1-2H3
InChIKeyKLLGORYTFQAOPI-UHFFFAOYSA-N
XLogP2.71
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dimethoxy-4-methylcinnoline;propane
CID 163274775
4-bromo-7-methoxy-6-[(4-methoxyphenyl)methoxy]cinnoline
CID 68954929
4-bromo-6-methoxycinnoline
CID 53415017
7-methoxy-6-(2-methoxyethoxy)-4-methylcinnoline
CID 143534314
1-bromo-4-methoxy-2,5-dimethylbenzene;hydrobromide
CID 157211395
methyl 4-bromocinnoline-6-carboxylate
CID 122457701
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
7-methoxy-6-methyl-3H-quinazolin-4-one
CID 135980182
4-bromo-8-methoxy-6-methylisoquinoline
CID 122457536
3-chloro-7-methoxy-6-methyl-1,2,4-benzotriazine
CID 90749385
4,6-dimethoxycinnoline
CID 134989956

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-methoxy-6-methylcinnoline?
The IUPAC name of 4-bromo-7-methoxy-6-methylcinnoline (CID 53415018) is 4-bromo-7-methoxy-6-methylcinnoline.
What is the SMILES notation for 4-bromo-7-methoxy-6-methylcinnoline?
The canonical SMILES for 4-bromo-7-methoxy-6-methylcinnoline is COc1cc2nncc(Br)c2cc1C.
What is the InChIKey of 4-bromo-7-methoxy-6-methylcinnoline?
The InChIKey is KLLGORYTFQAOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-6-3-7-8(11)5-12-13-9(7)4-10(6)14-2/h3-5H,1-2H3.
What are the key properties of 4-bromo-7-methoxy-6-methylcinnoline?
4-bromo-7-methoxy-6-methylcinnoline has a molecular weight of 253.10 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-methoxy-6-methylcinnoline is sourced from PubChem (CID 53415018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).