(6-bromo-2-methyl-4-phenylquinolin-8-yl)-phenylmethanol

C23H18BrNO — CID 143401751

IUPAC(6-bromo-2-methyl-4-phenylquinolin-8-yl)-phenylmethanol
SMILESCc1cc(-c2ccccc2)c2cc(Br)cc(C(O)c3ccccc3)c2n1
InChIInChI=1S/C23H18BrNO/c1-15-12-19(16-8-4-2-5-9-16)20-13-18(24)14-21(22(20)25-15)23(26)17-10-6-3-7-11-17/h2-14,23,26H,1H3
InChIKeyQPWNRVMDMFAMTM-UHFFFAOYSA-N
MW404.31 g/mol
LogP6.05
Rot. Bonds3

About (6-bromo-2-methyl-4-phenylquinolin-8-yl)-phenylmethanol

(6-bromo-2-methyl-4-phenylquinolin-8-yl)-phenylmethanol (PubChem CID 143401751) has the molecular formula C23H18BrNO and a molecular weight of 404.31 g/mol. Its IUPAC name is (6-bromo-2-methyl-4-phenylquinolin-8-yl)-phenylmethanol.

Molecular Properties

Compound Name(6-bromo-2-methyl-4-phenylquinolin-8-yl)-phenylmethanol
PubChem CID143401751
Molecular FormulaC23H18BrNO
Molecular Weight404.31 g/mol
Exact Mass403.06
IUPAC Name(6-bromo-2-methyl-4-phenylquinolin-8-yl)-phenylmethanol
SMILESCc1cc(-c2ccccc2)c2cc(Br)cc(C(O)c3ccccc3)c2n1
InChIInChI=1S/C23H18BrNO/c1-15-12-19(16-8-4-2-5-9-16)20-13-18(24)14-21(22(20)25-15)23(26)17-10-6-3-7-11-17/h2-14,23,26H,1H3
InChIKeyQPWNRVMDMFAMTM-UHFFFAOYSA-N
XLogP6.05
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.31
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2-chloro-8-[ethoxy(phenyl)methyl]-4-phenylquinoline
CID 147902907
[4-[hydroxy(phenyl)methyl]-2,5-diphenylphenyl]-phenylmethanol
CID 101169550
2-methyl-4,7,9-triphenyl-1,10-phenanthroline
CID 58704555
N-[2-methyl-4-phenyl-7-(1-phenylethyl)quinolin-8-yl]propan-2-imine
CID 155148831
2-methyl-4-phenylquinolin-8-ol;phenol
CID 174796538
2-[2,5-dimethyl-4-(9-methyl-4,7-diphenyl-1,10-phenanthrolin-2-yl)phenyl]-9-methyl-4,7-diphenyl-1,10-phenanthroline
CID 59736414
2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;sulfo hydrogen sulfate
CID 69027063
(2,6-dimethyl-3-pyridinyl)-phenylmethanol
CID 115604798
(6-bromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol
CID 104574600
(4-chlorophenyl)-(2-methylquinolin-4-yl)methanol
CID 79234879
6-bromo-2-methyl-4-(3-methylphenyl)quinoline
CID 168914877
disodium;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;methanesulfonate;hydrate
CID 154701020

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-methyl-4-phenylquinolin-8-yl)-phenylmethanol?
The IUPAC name of (6-bromo-2-methyl-4-phenylquinolin-8-yl)-phenylmethanol (CID 143401751) is (6-bromo-2-methyl-4-phenylquinolin-8-yl)-phenylmethanol.
What is the SMILES notation for (6-bromo-2-methyl-4-phenylquinolin-8-yl)-phenylmethanol?
The canonical SMILES for (6-bromo-2-methyl-4-phenylquinolin-8-yl)-phenylmethanol is Cc1cc(-c2ccccc2)c2cc(Br)cc(C(O)c3ccccc3)c2n1.
What is the InChIKey of (6-bromo-2-methyl-4-phenylquinolin-8-yl)-phenylmethanol?
The InChIKey is QPWNRVMDMFAMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrNO/c1-15-12-19(16-8-4-2-5-9-16)20-13-18(24)14-21(22(20)25-15)23(26)17-10-6-3-7-11-17/h2-14,23,26H,1H3.
What are the key properties of (6-bromo-2-methyl-4-phenylquinolin-8-yl)-phenylmethanol?
(6-bromo-2-methyl-4-phenylquinolin-8-yl)-phenylmethanol has a molecular weight of 404.31 g/mol, XLogP of 6.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-methyl-4-phenylquinolin-8-yl)-phenylmethanol is sourced from PubChem (CID 143401751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).