2-[(E)-2-[1-[(2-bromophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]-5,7-dichloroquinolin-8-ol

C23H19BrCl2N2O — CID 171347282

IUPAC2-[(E)-2-[1-[(2-bromophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]-5,7-dichloroquinolin-8-ol
SMILESOc1c(Cl)cc(Cl)c2ccc(/C=C/C3=CCN(Cc4ccccc4Br)CC3)nc12
InChIInChI=1S/C23H19BrCl2N2O/c24-19-4-2-1-3-16(19)14-28-11-9-15(10-12-28)5-6-17-7-8-18-20(25)13-21(26)23(29)22(18)27-17/h1-9,13,29H,10-12,14H2/b6-5+
InChIKeyLKTMSNCMLBVAQO-AATRIKPKSA-N
MW490.23 g/mol
LogP6.86
Rot. Bonds4

About 2-[(E)-2-[1-[(2-bromophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]-5,7-dichloroquinolin-8-ol

2-[(E)-2-[1-[(2-bromophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]-5,7-dichloroquinolin-8-ol (PubChem CID 171347282) has the molecular formula C23H19BrCl2N2O and a molecular weight of 490.23 g/mol. Its IUPAC name is 2-[(E)-2-[1-[(2-bromophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]-5,7-dichloroquinolin-8-ol.

Molecular Properties

Compound Name2-[(E)-2-[1-[(2-bromophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]-5,7-dichloroquinolin-8-ol
PubChem CID171347282
Molecular FormulaC23H19BrCl2N2O
Molecular Weight490.23 g/mol
Exact Mass488.01
IUPAC Name2-[(E)-2-[1-[(2-bromophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]-5,7-dichloroquinolin-8-ol
SMILESOc1c(Cl)cc(Cl)c2ccc(/C=C/C3=CCN(Cc4ccccc4Br)CC3)nc12
InChIInChI=1S/C23H19BrCl2N2O/c24-19-4-2-1-3-16(19)14-28-11-9-15(10-12-28)5-6-17-7-8-18-20(25)13-21(26)23(29)22(18)27-17/h1-9,13,29H,10-12,14H2/b6-5+
InChIKeyLKTMSNCMLBVAQO-AATRIKPKSA-N
XLogP6.86
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.23
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-dichloro-2-[(E)-2-[1-[(2-methylphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol
CID 171343865
5,7-dichloro-2-[2-[1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol
CID 176732591
5,7-dichloro-2-[2-[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol
CID 176732592
5,7-dichloro-2-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol
CID 176732605
5,7-dichloro-2-[(E)-2-naphthalen-2-ylethenyl]quinolin-8-ol
CID 7946493
4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]benzoic acid
CID 3314466
5,7-dichloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]quinolin-8-ol
CID 71450723
7-amino-5-chloro-2-[(E)-2-phenylethenyl]quinolin-8-ol
CID 141228959
2-[(5,7-dichloro-8-hydroxyquinolin-2-yl)methyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
CID 68607358
1-benzyl-4-[2-(4-fluorophenyl)ethenyl]-3,6-dihydro-2H-pyridine
CID 54324538
1-[(4-fluorophenyl)methyl]-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine
CID 67583405
5-[2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethenyl]-1-methylindole
CID 54335100

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[1-[(2-bromophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]-5,7-dichloroquinolin-8-ol?
The IUPAC name of 2-[(E)-2-[1-[(2-bromophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]-5,7-dichloroquinolin-8-ol (CID 171347282) is 2-[(E)-2-[1-[(2-bromophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]-5,7-dichloroquinolin-8-ol.
What is the SMILES notation for 2-[(E)-2-[1-[(2-bromophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]-5,7-dichloroquinolin-8-ol?
The canonical SMILES for 2-[(E)-2-[1-[(2-bromophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]-5,7-dichloroquinolin-8-ol is Oc1c(Cl)cc(Cl)c2ccc(/C=C/C3=CCN(Cc4ccccc4Br)CC3)nc12.
What is the InChIKey of 2-[(E)-2-[1-[(2-bromophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]-5,7-dichloroquinolin-8-ol?
The InChIKey is LKTMSNCMLBVAQO-AATRIKPKSA-N. The full InChI is InChI=1S/C23H19BrCl2N2O/c24-19-4-2-1-3-16(19)14-28-11-9-15(10-12-28)5-6-17-7-8-18-20(25)13-21(26)23(29)22(18)27-17/h1-9,13,29H,10-12,14H2/b6-5+.
What are the key properties of 2-[(E)-2-[1-[(2-bromophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]-5,7-dichloroquinolin-8-ol?
2-[(E)-2-[1-[(2-bromophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]-5,7-dichloroquinolin-8-ol has a molecular weight of 490.23 g/mol, XLogP of 6.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[1-[(2-bromophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]-5,7-dichloroquinolin-8-ol is sourced from PubChem (CID 171347282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).