7-bromo-2-methyl-8-propan-2-yloxyquinoline

C13H14BrNO — CID 70984179

IUPAC7-bromo-2-methyl-8-propan-2-yloxyquinoline
SMILESCc1ccc2ccc(Br)c(OC(C)C)c2n1
InChIInChI=1S/C13H14BrNO/c1-8(2)16-13-11(14)7-6-10-5-4-9(3)15-12(10)13/h4-8H,1-3H3
InChIKeyJVHRLMLPNBFVIC-UHFFFAOYSA-N
MW280.17 g/mol
LogP4.09
Rot. Bonds2

About 7-bromo-2-methyl-8-propan-2-yloxyquinoline

7-bromo-2-methyl-8-propan-2-yloxyquinoline (PubChem CID 70984179) has the molecular formula C13H14BrNO and a molecular weight of 280.17 g/mol. Its IUPAC name is 7-bromo-2-methyl-8-propan-2-yloxyquinoline.

Molecular Properties

Compound Name7-bromo-2-methyl-8-propan-2-yloxyquinoline
PubChem CID70984179
Molecular FormulaC13H14BrNO
Molecular Weight280.17 g/mol
Exact Mass279.03
IUPAC Name7-bromo-2-methyl-8-propan-2-yloxyquinoline
SMILESCc1ccc2ccc(Br)c(OC(C)C)c2n1
InChIInChI=1S/C13H14BrNO/c1-8(2)16-13-11(14)7-6-10-5-4-9(3)15-12(10)13/h4-8H,1-3H3
InChIKeyJVHRLMLPNBFVIC-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-Methoxy-2-Methylquinoline
CID 316986
8-(Benzyloxy)-2-methylquinoline
CID 737473
8-Ethoxyquinoline
CID 73781
8-[(4-Bromophenyl)methoxy]quinoline
CID 902797
8-[3-(2-Bromophenoxy)propoxy]quinoline
CID 2283404
8-[3-(4-Bromophenoxy)propoxy]quinoline
CID 2284304
2-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]quinolin-8-ol
CID 5731459
8-[(4-Bromophenyl)methoxy]-2-methylquinoline
CID 964708
8-{2-[2-(2-Bromophenoxy)ethoxy]ethoxy}-2-methylquinoline
CID 2182284
8-[2-(2-Bromophenoxy)ethoxy]quinoline
CID 2284643
8-{2-[2-(2-Bromo-4-methylphenoxy)ethoxy]ethoxy}quinoline
CID 2284785
8-{2-[2-(2-Bromophenoxy)ethoxy]ethoxy}quinoline
CID 2289004

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methyl-8-propan-2-yloxyquinoline?
The IUPAC name of 7-bromo-2-methyl-8-propan-2-yloxyquinoline (CID 70984179) is 7-bromo-2-methyl-8-propan-2-yloxyquinoline.
What is the SMILES notation for 7-bromo-2-methyl-8-propan-2-yloxyquinoline?
The canonical SMILES for 7-bromo-2-methyl-8-propan-2-yloxyquinoline is Cc1ccc2ccc(Br)c(OC(C)C)c2n1.
What is the InChIKey of 7-bromo-2-methyl-8-propan-2-yloxyquinoline?
The InChIKey is JVHRLMLPNBFVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO/c1-8(2)16-13-11(14)7-6-10-5-4-9(3)15-12(10)13/h4-8H,1-3H3.
What are the key properties of 7-bromo-2-methyl-8-propan-2-yloxyquinoline?
7-bromo-2-methyl-8-propan-2-yloxyquinoline has a molecular weight of 280.17 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-methyl-8-propan-2-yloxyquinoline is sourced from PubChem (CID 70984179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).