8-bromo-4-methoxy-3-methylquinoline;ethane

C13H16BrNO — CID 144929757

IUPAC8-bromo-4-methoxy-3-methylquinoline;ethane
SMILESCC.COc1c(C)cnc2c(Br)cccc12
InChIInChI=1S/C11H10BrNO.C2H6/c1-7-6-13-10-8(11(7)14-2)4-3-5-9(10)12;1-2/h3-6H,1-2H3;1-2H3
InChIKeyNQACXGICQABFJI-UHFFFAOYSA-N
MW282.18 g/mol
LogP4.34
Rot. Bonds1

About 8-bromo-4-methoxy-3-methylquinoline;ethane

8-bromo-4-methoxy-3-methylquinoline;ethane (PubChem CID 144929757) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 8-bromo-4-methoxy-3-methylquinoline;ethane.

Molecular Properties

Compound Name8-bromo-4-methoxy-3-methylquinoline;ethane
PubChem CID144929757
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name8-bromo-4-methoxy-3-methylquinoline;ethane
SMILESCC.COc1c(C)cnc2c(Br)cccc12
InChIInChI=1S/C11H10BrNO.C2H6/c1-7-6-13-10-8(11(7)14-2)4-3-5-9(10)12;1-2/h3-6H,1-2H3;1-2H3
InChIKeyNQACXGICQABFJI-UHFFFAOYSA-N
XLogP4.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(8-bromo-4-methoxyquinolin-3-yl)thiophene-2-carboxylic acid
CID 118407521
2-bromo-3,4-dimethoxy-5-methylpyridine
CID 174523781
8-bromo-3-methyl-4-[3-(3-methylsulfonylphenoxy)phenyl]quinoline
CID 68877402
8-bromo-4-methyl-3-nitroquinoline
CID 131886009
5-bromo-8-methoxy-7-methylquinoline
CID 90145888
methyl 8-bromo-4-(methylamino)quinoline-3-carboxylate
CID 102614849
ethane;4-methoxy-2,3,5-trimethylpyridine
CID 143004126
6-chloro-4-methoxy-3,8-dimethylquinoline
CID 129268371
3-methyl-4-propan-2-yloxyquinolin-8-amine
CID 139782280
3,8-ditert-butyl-4-methoxyquinoline
CID 129258195
8-chloro-4-methoxy-3-methyl-1,5-naphthyridine
CID 144929643
1-(2-bromophenyl)-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-one
CID 62829657

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-methoxy-3-methylquinoline;ethane?
The IUPAC name of 8-bromo-4-methoxy-3-methylquinoline;ethane (CID 144929757) is 8-bromo-4-methoxy-3-methylquinoline;ethane.
What is the SMILES notation for 8-bromo-4-methoxy-3-methylquinoline;ethane?
The canonical SMILES for 8-bromo-4-methoxy-3-methylquinoline;ethane is CC.COc1c(C)cnc2c(Br)cccc12.
What is the InChIKey of 8-bromo-4-methoxy-3-methylquinoline;ethane?
The InChIKey is NQACXGICQABFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO.C2H6/c1-7-6-13-10-8(11(7)14-2)4-3-5-9(10)12;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of 8-bromo-4-methoxy-3-methylquinoline;ethane?
8-bromo-4-methoxy-3-methylquinoline;ethane has a molecular weight of 282.18 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-methoxy-3-methylquinoline;ethane is sourced from PubChem (CID 144929757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).