7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,3-dimethoxy-4-methylphenyl)ethyl]quinolin-8-ol

C26H24Cl2N2O3 — CID 58543054

IUPAC7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,3-dimethoxy-4-methylphenyl)ethyl]quinolin-8-ol
SMILESCOc1c(C)ccc(C(Cc2nc(C)c(Cl)cc2Cl)c2ccc3cccnc3c2O)c1OC
InChIInChI=1S/C26H24Cl2N2O3/c1-14-7-9-18(26(33-4)25(14)32-3)19(12-22-21(28)13-20(27)15(2)30-22)17-10-8-16-6-5-11-29-23(16)24(17)31/h5-11,13,19,31H,12H2,1-4H3
InChIKeyNKXQRRGUPCYPJJ-UHFFFAOYSA-N
MW483.40 g/mol
LogP6.65
Rot. Bonds6

About 7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,3-dimethoxy-4-methylphenyl)ethyl]quinolin-8-ol

7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,3-dimethoxy-4-methylphenyl)ethyl]quinolin-8-ol (PubChem CID 58543054) has the molecular formula C26H24Cl2N2O3 and a molecular weight of 483.40 g/mol. Its IUPAC name is 7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,3-dimethoxy-4-methylphenyl)ethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,3-dimethoxy-4-methylphenyl)ethyl]quinolin-8-ol
PubChem CID58543054
Molecular FormulaC26H24Cl2N2O3
Molecular Weight483.40 g/mol
Exact Mass482.12
IUPAC Name7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,3-dimethoxy-4-methylphenyl)ethyl]quinolin-8-ol
SMILESCOc1c(C)ccc(C(Cc2nc(C)c(Cl)cc2Cl)c2ccc3cccnc3c2O)c1OC
InChIInChI=1S/C26H24Cl2N2O3/c1-14-7-9-18(26(33-4)25(14)32-3)19(12-22-21(28)13-20(27)15(2)30-22)17-10-8-16-6-5-11-29-23(16)24(17)31/h5-11,13,19,31H,12H2,1-4H3
InChIKeyNKXQRRGUPCYPJJ-UHFFFAOYSA-N
XLogP6.65
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.40
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,3-dimethoxy-4-methylphenyl)ethyl]quinolin-8-ol?
The IUPAC name of 7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,3-dimethoxy-4-methylphenyl)ethyl]quinolin-8-ol (CID 58543054) is 7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,3-dimethoxy-4-methylphenyl)ethyl]quinolin-8-ol.
What is the SMILES notation for 7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,3-dimethoxy-4-methylphenyl)ethyl]quinolin-8-ol?
The canonical SMILES for 7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,3-dimethoxy-4-methylphenyl)ethyl]quinolin-8-ol is COc1c(C)ccc(C(Cc2nc(C)c(Cl)cc2Cl)c2ccc3cccnc3c2O)c1OC.
What is the InChIKey of 7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,3-dimethoxy-4-methylphenyl)ethyl]quinolin-8-ol?
The InChIKey is NKXQRRGUPCYPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N2O3/c1-14-7-9-18(26(33-4)25(14)32-3)19(12-22-21(28)13-20(27)15(2)30-22)17-10-8-16-6-5-11-29-23(16)24(17)31/h5-11,13,19,31H,12H2,1-4H3.
What are the key properties of 7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,3-dimethoxy-4-methylphenyl)ethyl]quinolin-8-ol?
7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,3-dimethoxy-4-methylphenyl)ethyl]quinolin-8-ol has a molecular weight of 483.40 g/mol, XLogP of 6.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,3-dimethoxy-4-methylphenyl)ethyl]quinolin-8-ol is sourced from PubChem (CID 58543054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).