7-[1-(2,3-dichlorophenyl)-2-pyridin-3-ylethyl]quinolin-8-ol

C22H16Cl2N2O — CID 58543216

IUPAC7-[1-(2,3-dichlorophenyl)-2-pyridin-3-ylethyl]quinolin-8-ol
SMILESOc1c(C(Cc2cccnc2)c2cccc(Cl)c2Cl)ccc2cccnc12
InChIInChI=1S/C22H16Cl2N2O/c23-19-7-1-6-16(20(19)24)18(12-14-4-2-10-25-13-14)17-9-8-15-5-3-11-26-21(15)22(17)27/h1-11,13,18,27H,12H2
InChIKeyDTRASQCQEYUVPB-UHFFFAOYSA-N
MW395.29 g/mol
LogP6.02
Rot. Bonds4

About 7-[1-(2,3-dichlorophenyl)-2-pyridin-3-ylethyl]quinolin-8-ol

7-[1-(2,3-dichlorophenyl)-2-pyridin-3-ylethyl]quinolin-8-ol (PubChem CID 58543216) has the molecular formula C22H16Cl2N2O and a molecular weight of 395.29 g/mol. Its IUPAC name is 7-[1-(2,3-dichlorophenyl)-2-pyridin-3-ylethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[1-(2,3-dichlorophenyl)-2-pyridin-3-ylethyl]quinolin-8-ol
PubChem CID58543216
Molecular FormulaC22H16Cl2N2O
Molecular Weight395.29 g/mol
Exact Mass394.06
IUPAC Name7-[1-(2,3-dichlorophenyl)-2-pyridin-3-ylethyl]quinolin-8-ol
SMILESOc1c(C(Cc2cccnc2)c2cccc(Cl)c2Cl)ccc2cccnc12
InChIInChI=1S/C22H16Cl2N2O/c23-19-7-1-6-16(20(19)24)18(12-14-4-2-10-25-13-14)17-9-8-15-5-3-11-26-21(15)22(17)27/h1-11,13,18,27H,12H2
InChIKeyDTRASQCQEYUVPB-UHFFFAOYSA-N
XLogP6.02
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.29
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-((5-chloro-8-hydroxyquinolin-7-yl)(phenyl)methyl)acetamide
CID 2921493
Mls1547
CID 1093278
5-Chloro-7-((4-ethylpiperazin-1-yl)(pyridin-3-yl)methyl)quinolin-8-ol
CID 3516032
7-(Piperidin-1-ylmethyl)quinolin-8-ol
CID 245742
N-[(2,4-Dichloro-phenyl)-(8-hydroxy-quinolin-7-yl)-methyl]-isobutyramide
CID 2920814
N-[(2,4-Dichloro-phenyl)-(8-hydroxy-quinolin-7-yl)-methyl]-acetamide
CID 3136121
7-{(3-Chlorophenyl)[(6-methylpyridin-2-yl)amino]methyl}quinolin-8-ol
CID 2895830
ML-3H2
CID 716637
5-Chloro-7-[1-piperidinyl(2-pyridinyl)methyl]-8-quinolinol
CID 3491105
Ethyl 4-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperazine-1-carboxylate
CID 716585
N-[(5-Chloro-8-hydroxy-quinolin-7-yl)-p-tolyl-methyl]-acetamide
CID 2920402
5-Chloro-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 716609

Frequently Asked Questions

What is the IUPAC name of 7-[1-(2,3-dichlorophenyl)-2-pyridin-3-ylethyl]quinolin-8-ol?
The IUPAC name of 7-[1-(2,3-dichlorophenyl)-2-pyridin-3-ylethyl]quinolin-8-ol (CID 58543216) is 7-[1-(2,3-dichlorophenyl)-2-pyridin-3-ylethyl]quinolin-8-ol.
What is the SMILES notation for 7-[1-(2,3-dichlorophenyl)-2-pyridin-3-ylethyl]quinolin-8-ol?
The canonical SMILES for 7-[1-(2,3-dichlorophenyl)-2-pyridin-3-ylethyl]quinolin-8-ol is Oc1c(C(Cc2cccnc2)c2cccc(Cl)c2Cl)ccc2cccnc12.
What is the InChIKey of 7-[1-(2,3-dichlorophenyl)-2-pyridin-3-ylethyl]quinolin-8-ol?
The InChIKey is DTRASQCQEYUVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O/c23-19-7-1-6-16(20(19)24)18(12-14-4-2-10-25-13-14)17-9-8-15-5-3-11-26-21(15)22(17)27/h1-11,13,18,27H,12H2.
What are the key properties of 7-[1-(2,3-dichlorophenyl)-2-pyridin-3-ylethyl]quinolin-8-ol?
7-[1-(2,3-dichlorophenyl)-2-pyridin-3-ylethyl]quinolin-8-ol has a molecular weight of 395.29 g/mol, XLogP of 6.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2,3-dichlorophenyl)-2-pyridin-3-ylethyl]quinolin-8-ol is sourced from PubChem (CID 58543216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).