3,4-dichloro-8-methoxythieno[3,2-c]quinoline

C12H7Cl2NOS — CID 91756451

IUPAC3,4-dichloro-8-methoxythieno[3,2-c]quinoline
SMILESCOc1ccc2nc(Cl)c3c(Cl)csc3c2c1
InChIInChI=1S/C12H7Cl2NOS/c1-16-6-2-3-9-7(4-6)11-10(12(14)15-9)8(13)5-17-11/h2-5H,1H3
InChIKeyMJNHXPMCOGZFQN-UHFFFAOYSA-N
MW284.17 g/mol
LogP4.76
Rot. Bonds1

About 3,4-dichloro-8-methoxythieno[3,2-c]quinoline

3,4-dichloro-8-methoxythieno[3,2-c]quinoline (PubChem CID 91756451) has the molecular formula C12H7Cl2NOS and a molecular weight of 284.17 g/mol. Its IUPAC name is 3,4-dichloro-8-methoxythieno[3,2-c]quinoline.

Molecular Properties

Compound Name3,4-dichloro-8-methoxythieno[3,2-c]quinoline
PubChem CID91756451
Molecular FormulaC12H7Cl2NOS
Molecular Weight284.17 g/mol
Exact Mass282.96
IUPAC Name3,4-dichloro-8-methoxythieno[3,2-c]quinoline
SMILESCOc1ccc2nc(Cl)c3c(Cl)csc3c2c1
InChIInChI=1S/C12H7Cl2NOS/c1-16-6-2-3-9-7(4-6)11-10(12(14)15-9)8(13)5-17-11/h2-5H,1H3
InChIKeyMJNHXPMCOGZFQN-UHFFFAOYSA-N
XLogP4.76
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.17
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorothiophen-2-yl)-6-methoxyquinazolin-4-amine
CID 80641658
4-chloro-6-methoxyquinoline-3-carbonitrile
CID 87839135
2,4-dichloro-6-methoxy-3-piperidin-1-ylquinoline
CID 110272527
4-chloro-6-methoxy-2-(5-methylthiophen-2-yl)quinazoline
CID 63086379
4-chloro-6-methoxy-2-propylquinazoline
CID 106584452
6-chloro-2-methoxy-N,N-dimethylacridin-9-amine
CID 71406674
2-(2-chlorophenyl)-5-methoxyindazole
CID 102305740
4-(4-chlorophenyl)-6-methoxy-2-(4-methoxyphenyl)quinoline
CID 11100859
ethane;6-methoxy-2,4-dimethylquinoline
CID 143681558
6-methoxy-2-methyl-4-phenylquinoline
CID 12787220
2-chloro-3-(fluoromethyl)-6-methoxyquinoline
CID 163369933
4-fluoro-6-methoxy-3H-quinazolin-2-one
CID 70521421

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-8-methoxythieno[3,2-c]quinoline?
The IUPAC name of 3,4-dichloro-8-methoxythieno[3,2-c]quinoline (CID 91756451) is 3,4-dichloro-8-methoxythieno[3,2-c]quinoline.
What is the SMILES notation for 3,4-dichloro-8-methoxythieno[3,2-c]quinoline?
The canonical SMILES for 3,4-dichloro-8-methoxythieno[3,2-c]quinoline is COc1ccc2nc(Cl)c3c(Cl)csc3c2c1.
What is the InChIKey of 3,4-dichloro-8-methoxythieno[3,2-c]quinoline?
The InChIKey is MJNHXPMCOGZFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NOS/c1-16-6-2-3-9-7(4-6)11-10(12(14)15-9)8(13)5-17-11/h2-5H,1H3.
What are the key properties of 3,4-dichloro-8-methoxythieno[3,2-c]quinoline?
3,4-dichloro-8-methoxythieno[3,2-c]quinoline has a molecular weight of 284.17 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-8-methoxythieno[3,2-c]quinoline is sourced from PubChem (CID 91756451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).