5-chloro-7-iodoquinolin-8-ol;5,7-dichloro-2-ethylquinolin-8-ol;5,7-dichloro-2-pyridin-2-ylquinolin-8-ol

C34H22Cl5IN4O3 — CID 159232713

IUPAC5-chloro-7-iodoquinolin-8-ol;5,7-dichloro-2-ethylquinolin-8-ol;5,7-dichloro-2-pyridin-2-ylquinolin-8-ol
SMILESCCc1ccc2c(Cl)cc(Cl)c(O)c2n1.Oc1c(Cl)cc(Cl)c2ccc(-c3ccccn3)nc12.Oc1c(I)cc(Cl)c2cccnc12
InChIInChI=1S/C14H8Cl2N2O.C11H9Cl2NO.C9H5ClINO/c15-9-7-10(16)14(19)13-8(9)4-5-12(18-13)11-3-1-2-6-17-11;1-2-6-3-4-7-8(12)5-9(13)11(15)10(7)14-6;10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-7,19H;3-5,15H,2H2,1H3;1-4,13H
InChIKeyKTCJVZCICYCZCI-UHFFFAOYSA-N
MW838.74 g/mol
LogP11.32
Rot. Bonds2

About 5-chloro-7-iodoquinolin-8-ol;5,7-dichloro-2-ethylquinolin-8-ol;5,7-dichloro-2-pyridin-2-ylquinolin-8-ol

5-chloro-7-iodoquinolin-8-ol;5,7-dichloro-2-ethylquinolin-8-ol;5,7-dichloro-2-pyridin-2-ylquinolin-8-ol (PubChem CID 159232713) has the molecular formula C34H22Cl5IN4O3 and a molecular weight of 838.74 g/mol. Its IUPAC name is 5-chloro-7-iodoquinolin-8-ol;5,7-dichloro-2-ethylquinolin-8-ol;5,7-dichloro-2-pyridin-2-ylquinolin-8-ol.

Molecular Properties

Compound Name5-chloro-7-iodoquinolin-8-ol;5,7-dichloro-2-ethylquinolin-8-ol;5,7-dichloro-2-pyridin-2-ylquinolin-8-ol
PubChem CID159232713
Molecular FormulaC34H22Cl5IN4O3
Molecular Weight838.74 g/mol
Exact Mass835.92
IUPAC Name5-chloro-7-iodoquinolin-8-ol;5,7-dichloro-2-ethylquinolin-8-ol;5,7-dichloro-2-pyridin-2-ylquinolin-8-ol
SMILESCCc1ccc2c(Cl)cc(Cl)c(O)c2n1.Oc1c(Cl)cc(Cl)c2ccc(-c3ccccn3)nc12.Oc1c(I)cc(Cl)c2cccnc12
InChIInChI=1S/C14H8Cl2N2O.C11H9Cl2NO.C9H5ClINO/c15-9-7-10(16)14(19)13-8(9)4-5-12(18-13)11-3-1-2-6-17-11;1-2-6-3-4-7-8(12)5-9(13)11(15)10(7)14-6;10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-7,19H;3-5,15H,2H2,1H3;1-4,13H
InChIKeyKTCJVZCICYCZCI-UHFFFAOYSA-N
XLogP11.32
TPSA112.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.74
LogP ≤ 511.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-iodoquinolin-8-ol;5,7-dichloro-2-ethylquinolin-8-ol;5,7-dichloro-2-pyridin-2-ylquinolin-8-ol?
The IUPAC name of 5-chloro-7-iodoquinolin-8-ol;5,7-dichloro-2-ethylquinolin-8-ol;5,7-dichloro-2-pyridin-2-ylquinolin-8-ol (CID 159232713) is 5-chloro-7-iodoquinolin-8-ol;5,7-dichloro-2-ethylquinolin-8-ol;5,7-dichloro-2-pyridin-2-ylquinolin-8-ol.
What is the SMILES notation for 5-chloro-7-iodoquinolin-8-ol;5,7-dichloro-2-ethylquinolin-8-ol;5,7-dichloro-2-pyridin-2-ylquinolin-8-ol?
The canonical SMILES for 5-chloro-7-iodoquinolin-8-ol;5,7-dichloro-2-ethylquinolin-8-ol;5,7-dichloro-2-pyridin-2-ylquinolin-8-ol is CCc1ccc2c(Cl)cc(Cl)c(O)c2n1.Oc1c(Cl)cc(Cl)c2ccc(-c3ccccn3)nc12.Oc1c(I)cc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-7-iodoquinolin-8-ol;5,7-dichloro-2-ethylquinolin-8-ol;5,7-dichloro-2-pyridin-2-ylquinolin-8-ol?
The InChIKey is KTCJVZCICYCZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O.C11H9Cl2NO.C9H5ClINO/c15-9-7-10(16)14(19)13-8(9)4-5-12(18-13)11-3-1-2-6-17-11;1-2-6-3-4-7-8(12)5-9(13)11(15)10(7)14-6;10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-7,19H;3-5,15H,2H2,1H3;1-4,13H.
What are the key properties of 5-chloro-7-iodoquinolin-8-ol;5,7-dichloro-2-ethylquinolin-8-ol;5,7-dichloro-2-pyridin-2-ylquinolin-8-ol?
5-chloro-7-iodoquinolin-8-ol;5,7-dichloro-2-ethylquinolin-8-ol;5,7-dichloro-2-pyridin-2-ylquinolin-8-ol has a molecular weight of 838.74 g/mol, XLogP of 11.32, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-iodoquinolin-8-ol;5,7-dichloro-2-ethylquinolin-8-ol;5,7-dichloro-2-pyridin-2-ylquinolin-8-ol is sourced from PubChem (CID 159232713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).