(3-bromo-4-methoxyphenyl)-quinolin-7-ylmethanol

C17H14BrNO2 — CID 81196495

IUPAC(3-bromo-4-methoxyphenyl)-quinolin-7-ylmethanol
SMILESCOc1ccc(C(O)c2ccc3cccnc3c2)cc1Br
InChIInChI=1S/C17H14BrNO2/c1-21-16-7-6-12(9-14(16)18)17(20)13-5-4-11-3-2-8-19-15(11)10-13/h2-10,17,20H,1H3
InChIKeyBIZYXGZBQCMBHU-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.09
Rot. Bonds3

About (3-bromo-4-methoxyphenyl)-quinolin-7-ylmethanol

(3-bromo-4-methoxyphenyl)-quinolin-7-ylmethanol (PubChem CID 81196495) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-quinolin-7-ylmethanol.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-quinolin-7-ylmethanol
PubChem CID81196495
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name(3-bromo-4-methoxyphenyl)-quinolin-7-ylmethanol
SMILESCOc1ccc(C(O)c2ccc3cccnc3c2)cc1Br
InChIInChI=1S/C17H14BrNO2/c1-21-16-7-6-12(9-14(16)18)17(20)13-5-4-11-3-2-8-19-15(11)10-13/h2-10,17,20H,1H3
InChIKeyBIZYXGZBQCMBHU-UHFFFAOYSA-N
XLogP4.09
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-3-methylphenyl)-quinolin-7-ylmethanol
CID 81198121
(1R)-1-(3-bromo-4-quinolin-7-yloxyphenyl)ethanol
CID 107314104
(2-amino-3-methoxyphenyl)-quinolin-7-ylmethanol
CID 107469424
(2-bromophenyl)-quinolin-7-ylmethanol
CID 81216340
(4-methylsulfanylphenyl)-quinolin-7-ylmethanol
CID 115827020
(4-methoxy-3-methylphenyl)-quinolin-6-ylmethanol
CID 78917721
7-bromo-6-methoxyquinoline
CID 14566897
(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 104661023
(3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080516
(3-bromothiophen-2-yl)-quinolin-7-ylmethanol
CID 113298220
7-[(3-bromo-4-methoxyphenyl)methoxy]quinoline
CID 107314495
(3-chloro-4-methylphenyl)-quinolin-7-ylmethanol
CID 115827163

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-quinolin-7-ylmethanol?
The IUPAC name of (3-bromo-4-methoxyphenyl)-quinolin-7-ylmethanol (CID 81196495) is (3-bromo-4-methoxyphenyl)-quinolin-7-ylmethanol.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-quinolin-7-ylmethanol?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-quinolin-7-ylmethanol is COc1ccc(C(O)c2ccc3cccnc3c2)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-quinolin-7-ylmethanol?
The InChIKey is BIZYXGZBQCMBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-21-16-7-6-12(9-14(16)18)17(20)13-5-4-11-3-2-8-19-15(11)10-13/h2-10,17,20H,1H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-quinolin-7-ylmethanol?
(3-bromo-4-methoxyphenyl)-quinolin-7-ylmethanol has a molecular weight of 344.21 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-quinolin-7-ylmethanol is sourced from PubChem (CID 81196495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).