3-chloro-2-[(3-chloroquinolin-2-yl)disulfanyl]quinoline

C18H10Cl2N2S2 — CID 138393189

IUPAC3-chloro-2-[(3-chloroquinolin-2-yl)disulfanyl]quinoline
SMILESClc1cc2ccccc2nc1SSc1nc2ccccc2cc1Cl
InChIInChI=1S/C18H10Cl2N2S2/c19-13-9-11-5-1-3-7-15(11)21-17(13)23-24-18-14(20)10-12-6-2-4-8-16(12)22-18/h1-10H
InChIKeyHAJAAGRRHFQPNQ-UHFFFAOYSA-N
MW389.33 g/mol
LogP6.89
Rot. Bonds3

About 3-chloro-2-[(3-chloroquinolin-2-yl)disulfanyl]quinoline

3-chloro-2-[(3-chloroquinolin-2-yl)disulfanyl]quinoline (PubChem CID 138393189) has the molecular formula C18H10Cl2N2S2 and a molecular weight of 389.33 g/mol. Its IUPAC name is 3-chloro-2-[(3-chloroquinolin-2-yl)disulfanyl]quinoline.

Molecular Properties

Compound Name3-chloro-2-[(3-chloroquinolin-2-yl)disulfanyl]quinoline
PubChem CID138393189
Molecular FormulaC18H10Cl2N2S2
Molecular Weight389.33 g/mol
Exact Mass387.97
IUPAC Name3-chloro-2-[(3-chloroquinolin-2-yl)disulfanyl]quinoline
SMILESClc1cc2ccccc2nc1SSc1nc2ccccc2cc1Cl
InChIInChI=1S/C18H10Cl2N2S2/c19-13-9-11-5-1-3-7-15(11)21-17(13)23-24-18-14(20)10-12-6-2-4-8-16(12)22-18/h1-10H
InChIKeyHAJAAGRRHFQPNQ-UHFFFAOYSA-N
XLogP6.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.33
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(3-chloroquinolin-2-yl)disulfanyl]quinoline?
The IUPAC name of 3-chloro-2-[(3-chloroquinolin-2-yl)disulfanyl]quinoline (CID 138393189) is 3-chloro-2-[(3-chloroquinolin-2-yl)disulfanyl]quinoline.
What is the SMILES notation for 3-chloro-2-[(3-chloroquinolin-2-yl)disulfanyl]quinoline?
The canonical SMILES for 3-chloro-2-[(3-chloroquinolin-2-yl)disulfanyl]quinoline is Clc1cc2ccccc2nc1SSc1nc2ccccc2cc1Cl.
What is the InChIKey of 3-chloro-2-[(3-chloroquinolin-2-yl)disulfanyl]quinoline?
The InChIKey is HAJAAGRRHFQPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2N2S2/c19-13-9-11-5-1-3-7-15(11)21-17(13)23-24-18-14(20)10-12-6-2-4-8-16(12)22-18/h1-10H.
What are the key properties of 3-chloro-2-[(3-chloroquinolin-2-yl)disulfanyl]quinoline?
3-chloro-2-[(3-chloroquinolin-2-yl)disulfanyl]quinoline has a molecular weight of 389.33 g/mol, XLogP of 6.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(3-chloroquinolin-2-yl)disulfanyl]quinoline is sourced from PubChem (CID 138393189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).