1-bromo-4-methylbenzene;6-(4-methylphenoxy)quinoline;quinolin-6-ol

C32H27BrN2O2 — CID 157383225

IUPAC1-bromo-4-methylbenzene;6-(4-methylphenoxy)quinoline;quinolin-6-ol
SMILESCc1ccc(Br)cc1.Cc1ccc(Oc2ccc3ncccc3c2)cc1.Oc1ccc2ncccc2c1
InChIInChI=1S/C16H13NO.C9H7NO.C7H7Br/c1-12-4-6-14(7-5-12)18-15-8-9-16-13(11-15)3-2-10-17-16;11-8-3-4-9-7(6-8)2-1-5-10-9;1-6-2-4-7(8)5-3-6/h2-11H,1H3;1-6,11H;2-5H,1H3
InChIKeyBLDANJPAJFEXFC-UHFFFAOYSA-N
MW551.48 g/mol
LogP9.03
Rot. Bonds2

About 1-bromo-4-methylbenzene;6-(4-methylphenoxy)quinoline;quinolin-6-ol

1-bromo-4-methylbenzene;6-(4-methylphenoxy)quinoline;quinolin-6-ol (PubChem CID 157383225) has the molecular formula C32H27BrN2O2 and a molecular weight of 551.48 g/mol. Its IUPAC name is 1-bromo-4-methylbenzene;6-(4-methylphenoxy)quinoline;quinolin-6-ol.

Molecular Properties

Compound Name1-bromo-4-methylbenzene;6-(4-methylphenoxy)quinoline;quinolin-6-ol
PubChem CID157383225
Molecular FormulaC32H27BrN2O2
Molecular Weight551.48 g/mol
Exact Mass550.13
IUPAC Name1-bromo-4-methylbenzene;6-(4-methylphenoxy)quinoline;quinolin-6-ol
SMILESCc1ccc(Br)cc1.Cc1ccc(Oc2ccc3ncccc3c2)cc1.Oc1ccc2ncccc2c1
InChIInChI=1S/C16H13NO.C9H7NO.C7H7Br/c1-12-4-6-14(7-5-12)18-15-8-9-16-13(11-15)3-2-10-17-16;11-8-3-4-9-7(6-8)2-1-5-10-9;1-6-2-4-7(8)5-3-6/h2-11H,1H3;1-6,11H;2-5H,1H3
InChIKeyBLDANJPAJFEXFC-UHFFFAOYSA-N
XLogP9.03
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.48
LogP ≤ 59.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[(3R,4R)-3-ethyl-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-4-yl]propyl]quinolin-6-ol
CID 44534461
4-[3-[(3R,4R)-1-[(2-bromophenyl)methyl]-3-ethylpiperidin-4-yl]propyl]quinolin-6-ol
CID 44534570
3-[(6,7-Dimethoxyisoquinolin-4-yl)methyl]quinolin-6-ol
CID 90117648
3-Bromo-6-methoxyquinoline
CID 14758587
4-Phenoxy-1-[10-(4-phenoxyquinolin-1-ium-1-yl)decyl]quinolin-1-ium
CID 10079214
1-[[4-[4-(Quinolin-1-ium-1-ylmethyl)phenoxy]phenyl]methyl]quinolin-1-ium dibromide
CID 118735661
3-(4-Bromophenyl)-1-(4-methoxyphenyl)benzo[f][1,7]naphthyridine
CID 132849963
4-(4-Phenylmethoxyanilino)quinolin-6-ol
CID 155538631
4-Bromo-6-methoxyquinoline
CID 11160747
3-Bromoquinolin-6-yl acetate
CID 68530047
5-[(6-Hydroxyquinolin-5-yl)-(4-methoxyphenyl)methyl]quinolin-6-ol
CID 13900488
8-Methoxyphenanthridin-2-ol
CID 71524091

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-methylbenzene;6-(4-methylphenoxy)quinoline;quinolin-6-ol?
The IUPAC name of 1-bromo-4-methylbenzene;6-(4-methylphenoxy)quinoline;quinolin-6-ol (CID 157383225) is 1-bromo-4-methylbenzene;6-(4-methylphenoxy)quinoline;quinolin-6-ol.
What is the SMILES notation for 1-bromo-4-methylbenzene;6-(4-methylphenoxy)quinoline;quinolin-6-ol?
The canonical SMILES for 1-bromo-4-methylbenzene;6-(4-methylphenoxy)quinoline;quinolin-6-ol is Cc1ccc(Br)cc1.Cc1ccc(Oc2ccc3ncccc3c2)cc1.Oc1ccc2ncccc2c1.
What is the InChIKey of 1-bromo-4-methylbenzene;6-(4-methylphenoxy)quinoline;quinolin-6-ol?
The InChIKey is BLDANJPAJFEXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO.C9H7NO.C7H7Br/c1-12-4-6-14(7-5-12)18-15-8-9-16-13(11-15)3-2-10-17-16;11-8-3-4-9-7(6-8)2-1-5-10-9;1-6-2-4-7(8)5-3-6/h2-11H,1H3;1-6,11H;2-5H,1H3.
What are the key properties of 1-bromo-4-methylbenzene;6-(4-methylphenoxy)quinoline;quinolin-6-ol?
1-bromo-4-methylbenzene;6-(4-methylphenoxy)quinoline;quinolin-6-ol has a molecular weight of 551.48 g/mol, XLogP of 9.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-methylbenzene;6-(4-methylphenoxy)quinoline;quinolin-6-ol is sourced from PubChem (CID 157383225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).