(5-bromo-2-methylphenyl)-quinolin-7-ylmethanol

C17H14BrNO — CID 115827006

IUPAC(5-bromo-2-methylphenyl)-quinolin-7-ylmethanol
SMILESCc1ccc(Br)cc1C(O)c1ccc2cccnc2c1
InChIInChI=1S/C17H14BrNO/c1-11-4-7-14(18)10-15(11)17(20)13-6-5-12-3-2-8-19-16(12)9-13/h2-10,17,20H,1H3
InChIKeyAVMDEQDWQJVWBK-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.39
Rot. Bonds2

About (5-bromo-2-methylphenyl)-quinolin-7-ylmethanol

(5-bromo-2-methylphenyl)-quinolin-7-ylmethanol (PubChem CID 115827006) has the molecular formula C17H14BrNO and a molecular weight of 328.21 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)-quinolin-7-ylmethanol.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)-quinolin-7-ylmethanol
PubChem CID115827006
Molecular FormulaC17H14BrNO
Molecular Weight328.21 g/mol
Exact Mass327.03
IUPAC Name(5-bromo-2-methylphenyl)-quinolin-7-ylmethanol
SMILESCc1ccc(Br)cc1C(O)c1ccc2cccnc2c1
InChIInChI=1S/C17H14BrNO/c1-11-4-7-14(18)10-15(11)17(20)13-6-5-12-3-2-8-19-16(12)9-13/h2-10,17,20H,1H3
InChIKeyAVMDEQDWQJVWBK-UHFFFAOYSA-N
XLogP4.39
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-fluorophenyl)-quinolin-7-ylmethanol
CID 81215821
(2-bromophenyl)-quinolin-7-ylmethanol
CID 81216340
(3-chloro-4-methylphenyl)-quinolin-7-ylmethanol
CID 115827163
(4-methoxy-3-methylphenyl)-quinolin-7-ylmethanol
CID 81198121
(3-bromo-2-fluorophenyl)-quinolin-7-ylmethanol
CID 107954092
(2-bromo-3-fluorophenyl)-quinolin-7-ylmethanol
CID 115827043
(2-amino-5-bromophenyl)-quinolin-6-ylmethanol
CID 82704078
(5-fluoro-2-methylphenyl)-quinolin-6-ylmethanol
CID 63095091
(2-chlorophenyl)-quinolin-7-ylmethanol
CID 81216556
(3-bromothiophen-2-yl)-quinolin-7-ylmethanol
CID 113298220
(4-methyl-2-pyridinyl)-quinolin-7-ylmethanol
CID 81220437
(3-bromo-4-methoxyphenyl)-quinolin-7-ylmethanol
CID 81196495

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)-quinolin-7-ylmethanol?
The IUPAC name of (5-bromo-2-methylphenyl)-quinolin-7-ylmethanol (CID 115827006) is (5-bromo-2-methylphenyl)-quinolin-7-ylmethanol.
What is the SMILES notation for (5-bromo-2-methylphenyl)-quinolin-7-ylmethanol?
The canonical SMILES for (5-bromo-2-methylphenyl)-quinolin-7-ylmethanol is Cc1ccc(Br)cc1C(O)c1ccc2cccnc2c1.
What is the InChIKey of (5-bromo-2-methylphenyl)-quinolin-7-ylmethanol?
The InChIKey is AVMDEQDWQJVWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO/c1-11-4-7-14(18)10-15(11)17(20)13-6-5-12-3-2-8-19-16(12)9-13/h2-10,17,20H,1H3.
What are the key properties of (5-bromo-2-methylphenyl)-quinolin-7-ylmethanol?
(5-bromo-2-methylphenyl)-quinolin-7-ylmethanol has a molecular weight of 328.21 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylphenyl)-quinolin-7-ylmethanol is sourced from PubChem (CID 115827006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).