7-bromo-4-(4-methylphenoxy)quinoline

C16H12BrNO — CID 134817400

IUPAC7-bromo-4-(4-methylphenoxy)quinoline
SMILESCc1ccc(Oc2ccnc3cc(Br)ccc23)cc1
InChIInChI=1S/C16H12BrNO/c1-11-2-5-13(6-3-11)19-16-8-9-18-15-10-12(17)4-7-14(15)16/h2-10H,1H3
InChIKeyHFNSCUCFCSJMLN-UHFFFAOYSA-N
MW314.18 g/mol
LogP5.10
Rot. Bonds2

About 7-bromo-4-(4-methylphenoxy)quinoline

7-bromo-4-(4-methylphenoxy)quinoline (PubChem CID 134817400) has the molecular formula C16H12BrNO and a molecular weight of 314.18 g/mol. Its IUPAC name is 7-bromo-4-(4-methylphenoxy)quinoline.

Molecular Properties

Compound Name7-bromo-4-(4-methylphenoxy)quinoline
PubChem CID134817400
Molecular FormulaC16H12BrNO
Molecular Weight314.18 g/mol
Exact Mass313.01
IUPAC Name7-bromo-4-(4-methylphenoxy)quinoline
SMILESCc1ccc(Oc2ccnc3cc(Br)ccc23)cc1
InChIInChI=1S/C16H12BrNO/c1-11-2-5-13(6-3-11)19-16-8-9-18-15-10-12(17)4-7-14(15)16/h2-10H,1H3
InChIKeyHFNSCUCFCSJMLN-UHFFFAOYSA-N
XLogP5.10
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.18
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-Benzyloxyquinoline
CID 3035604
4-Methoxyquinoline
CID 521938
N-(6-{[1-(4-Bromophenyl)isoquinolin-6-YL]oxy}hexyl)-N-methylprop-2-EN-1-amine
CID 447553
8-[(4-Bromophenyl)methoxy]quinoline
CID 902797
8-[3-(2-Bromophenoxy)propoxy]quinoline
CID 2283404
8-[3-(4-Bromophenoxy)propoxy]quinoline
CID 2284304
4-(4-Phenoxybutoxy)quinoline
CID 42631043
2-(4-Bromophenyl)-n-((7-methoxy-2-(pyridin-3-yl)quinolin-3-yl)methyl)ethanamine
CID 24969527
2-(4-Bromophenyl)-n-((7-methoxy-2-(pyridin-4-yl)quinolin-3-yl)methyl)ethanamine
CID 24969952
N-(3-bromophenyl)-7-butoxyquinolin-4-amine
CID 132159881
Aqpirxskydbndz-uhfffaoysa-
CID 10723507
4-(Quinolin-4-yloxy)aniline
CID 53330117

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-(4-methylphenoxy)quinoline?
The IUPAC name of 7-bromo-4-(4-methylphenoxy)quinoline (CID 134817400) is 7-bromo-4-(4-methylphenoxy)quinoline.
What is the SMILES notation for 7-bromo-4-(4-methylphenoxy)quinoline?
The canonical SMILES for 7-bromo-4-(4-methylphenoxy)quinoline is Cc1ccc(Oc2ccnc3cc(Br)ccc23)cc1.
What is the InChIKey of 7-bromo-4-(4-methylphenoxy)quinoline?
The InChIKey is HFNSCUCFCSJMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO/c1-11-2-5-13(6-3-11)19-16-8-9-18-15-10-12(17)4-7-14(15)16/h2-10H,1H3.
What are the key properties of 7-bromo-4-(4-methylphenoxy)quinoline?
7-bromo-4-(4-methylphenoxy)quinoline has a molecular weight of 314.18 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-(4-methylphenoxy)quinoline is sourced from PubChem (CID 134817400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).