8-bromo-6-methoxy-4-propan-2-ylquinoline

C13H14BrNO — CID 167327575

IUPAC8-bromo-6-methoxy-4-propan-2-ylquinoline
SMILESCOc1cc(Br)c2nccc(C(C)C)c2c1
InChIInChI=1S/C13H14BrNO/c1-8(2)10-4-5-15-13-11(10)6-9(16-3)7-12(13)14/h4-8H,1-3H3
InChIKeyLTWQPLNGBULTEU-UHFFFAOYSA-N
MW280.17 g/mol
LogP4.13
Rot. Bonds2

About 8-bromo-6-methoxy-4-propan-2-ylquinoline

8-bromo-6-methoxy-4-propan-2-ylquinoline (PubChem CID 167327575) has the molecular formula C13H14BrNO and a molecular weight of 280.17 g/mol. Its IUPAC name is 8-bromo-6-methoxy-4-propan-2-ylquinoline.

Molecular Properties

Compound Name8-bromo-6-methoxy-4-propan-2-ylquinoline
PubChem CID167327575
Molecular FormulaC13H14BrNO
Molecular Weight280.17 g/mol
Exact Mass279.03
IUPAC Name8-bromo-6-methoxy-4-propan-2-ylquinoline
SMILESCOc1cc(Br)c2nccc(C(C)C)c2c1
InChIInChI=1S/C13H14BrNO/c1-8(2)10-4-5-15-13-11(10)6-9(16-3)7-12(13)14/h4-8H,1-3H3
InChIKeyLTWQPLNGBULTEU-UHFFFAOYSA-N
XLogP4.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-5-propan-2-ylquinoline
CID 22716768
4-methoxy-3,8-di(propan-2-yl)-1,5-naphthyridine
CID 129268497
5-bromo-7-methoxyisoquinoline-1-carbonitrile
CID 125427205
4-methoxy-2,6-di(propan-2-yl)phenol
CID 19994197
5-bromo-7-methoxyisoquinoline-1-carboxylic acid
CID 125426673
1-bromo-2-methoxy-3-propan-2-ylbenzene
CID 11333670
(6-ethyl-4-propan-2-ylquinolin-8-yl)methanamine
CID 167327617
7-bromo-5-methoxy-2-(4-methoxyphenyl)indazole
CID 176556601
2-methylpropane;4-propan-2-ylbenzo[g]quinoline
CID 168983890
8-methylsulfanyl-4-propan-2-ylquinoline
CID 58755572
7-bromo-5-methoxy-2-(4-methoxyphenyl)-3-methylindazole
CID 176556568
2,6-dibromo-4-methoxyaniline
CID 542895

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-methoxy-4-propan-2-ylquinoline?
The IUPAC name of 8-bromo-6-methoxy-4-propan-2-ylquinoline (CID 167327575) is 8-bromo-6-methoxy-4-propan-2-ylquinoline.
What is the SMILES notation for 8-bromo-6-methoxy-4-propan-2-ylquinoline?
The canonical SMILES for 8-bromo-6-methoxy-4-propan-2-ylquinoline is COc1cc(Br)c2nccc(C(C)C)c2c1.
What is the InChIKey of 8-bromo-6-methoxy-4-propan-2-ylquinoline?
The InChIKey is LTWQPLNGBULTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO/c1-8(2)10-4-5-15-13-11(10)6-9(16-3)7-12(13)14/h4-8H,1-3H3.
What are the key properties of 8-bromo-6-methoxy-4-propan-2-ylquinoline?
8-bromo-6-methoxy-4-propan-2-ylquinoline has a molecular weight of 280.17 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-methoxy-4-propan-2-ylquinoline is sourced from PubChem (CID 167327575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).