7-bromo-2-methoxy-3-propan-2-ylquinoline

C13H14BrNO — CID 59393157

IUPAC7-bromo-2-methoxy-3-propan-2-ylquinoline
SMILESCOc1nc2cc(Br)ccc2cc1C(C)C
InChIInChI=1S/C13H14BrNO/c1-8(2)11-6-9-4-5-10(14)7-12(9)15-13(11)16-3/h4-8H,1-3H3
InChIKeyJYEIKSCOWLUHSR-UHFFFAOYSA-N
MW280.17 g/mol
LogP4.13
Rot. Bonds2

About 7-bromo-2-methoxy-3-propan-2-ylquinoline

7-bromo-2-methoxy-3-propan-2-ylquinoline (PubChem CID 59393157) has the molecular formula C13H14BrNO and a molecular weight of 280.17 g/mol. Its IUPAC name is 7-bromo-2-methoxy-3-propan-2-ylquinoline.

Molecular Properties

Compound Name7-bromo-2-methoxy-3-propan-2-ylquinoline
PubChem CID59393157
Molecular FormulaC13H14BrNO
Molecular Weight280.17 g/mol
Exact Mass279.03
IUPAC Name7-bromo-2-methoxy-3-propan-2-ylquinoline
SMILESCOc1nc2cc(Br)ccc2cc1C(C)C
InChIInChI=1S/C13H14BrNO/c1-8(2)11-6-9-4-5-10(14)7-12(9)15-13(11)16-3/h4-8H,1-3H3
InChIKeyJYEIKSCOWLUHSR-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

2-(2-methoxy-3-propan-2-ylquinolin-7-yl)propanenitrile
CID 59393067
6-chloro-2-methoxy-3-propan-2-ylpyridine
CID 130325202
6-bromo-2-(4-bromophenyl)-3-methoxyquinoxaline
CID 57420227
6-(4-bromo-2-propan-2-ylphenoxy)-2-methoxypyridin-3-amine
CID 115401558
6-bromo-4-chloro-2-methoxy-3-(2-methylpropyl)quinoline
CID 118022089
(1S)-N-[(S)-(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-naphthalen-1-ylethanamine
CID 139236694
(1S)-1-(6-bromo-2-methoxy-3-pyridinyl)ethanamine;hydrochloride
CID 169081733
7-bromo-1-methoxyisoquinoline
CID 67491611
7-bromo-3-methylquinolin-2-amine
CID 17039635
2-bromo-8-propan-2-ylphenazine
CID 119028481
7-bromo-4-chloro-2-propan-2-ylquinazoline
CID 53404537
1-(6-bromo-2-methoxyquinolin-3-yl)-2-naphthalen-2-yl-1-phenyl-4-(trimethylazaniumyl)butan-2-olate;hydroiodide
CID 15941140

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methoxy-3-propan-2-ylquinoline?
The IUPAC name of 7-bromo-2-methoxy-3-propan-2-ylquinoline (CID 59393157) is 7-bromo-2-methoxy-3-propan-2-ylquinoline.
What is the SMILES notation for 7-bromo-2-methoxy-3-propan-2-ylquinoline?
The canonical SMILES for 7-bromo-2-methoxy-3-propan-2-ylquinoline is COc1nc2cc(Br)ccc2cc1C(C)C.
What is the InChIKey of 7-bromo-2-methoxy-3-propan-2-ylquinoline?
The InChIKey is JYEIKSCOWLUHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO/c1-8(2)11-6-9-4-5-10(14)7-12(9)15-13(11)16-3/h4-8H,1-3H3.
What are the key properties of 7-bromo-2-methoxy-3-propan-2-ylquinoline?
7-bromo-2-methoxy-3-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 7-bromo-2-methoxy-3-propan-2-ylquinoline is sourced from PubChem (CID 59393157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).