4,5-dichloro-8-methoxyquinoline

C10H7Cl2NO — CID 43531957

IUPAC4,5-dichloro-8-methoxyquinoline
SMILESCOc1ccc(Cl)c2c(Cl)ccnc12
InChIInChI=1S/C10H7Cl2NO/c1-14-8-3-2-6(11)9-7(12)4-5-13-10(8)9/h2-5H,1H3
InChIKeyNEFIDYAMXSTZTN-UHFFFAOYSA-N
MW228.08 g/mol
LogP3.55
Rot. Bonds1

About 4,5-dichloro-8-methoxyquinoline

4,5-dichloro-8-methoxyquinoline (PubChem CID 43531957) has the molecular formula C10H7Cl2NO and a molecular weight of 228.08 g/mol. Its IUPAC name is 4,5-dichloro-8-methoxyquinoline.

Molecular Properties

Compound Name4,5-dichloro-8-methoxyquinoline
PubChem CID43531957
Molecular FormulaC10H7Cl2NO
Molecular Weight228.08 g/mol
Exact Mass226.99
IUPAC Name4,5-dichloro-8-methoxyquinoline
SMILESCOc1ccc(Cl)c2c(Cl)ccnc12
InChIInChI=1S/C10H7Cl2NO/c1-14-8-3-2-6(11)9-7(12)4-5-13-10(8)9/h2-5H,1H3
InChIKeyNEFIDYAMXSTZTN-UHFFFAOYSA-N
XLogP3.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-5-methoxyquinolin-8-amine
CID 19592989
5-chloro-8-methoxy-N-propylquinolin-4-amine
CID 55045427
4,7-dichloro-5,6-dimethoxy-1,10-phenanthroline
CID 12065047
4-chloro-5-methoxy-8-nitroquinoline
CID 19592414
4-chloro-7-methoxy-8-methylquinoline
CID 21101954
8-chloro-5-methoxy-N-methylquinolin-4-amine
CID 62190828
9-methoxy-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene
CID 59613717
(8-chloro-5-methoxyquinolin-4-yl)hydrazine
CID 62250113
4,5-dichloroquinolin-8-amine
CID 19592780
4-tert-butyl-5-fluoro-8-methoxyquinoline
CID 163452003
8-chloro-5-methoxy-N-propylquinolin-4-amine
CID 62190827
5-chloro-8-methoxy-4-(methylamino)quinoline-3-carbonitrile
CID 62188675

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-8-methoxyquinoline?
The IUPAC name of 4,5-dichloro-8-methoxyquinoline (CID 43531957) is 4,5-dichloro-8-methoxyquinoline.
What is the SMILES notation for 4,5-dichloro-8-methoxyquinoline?
The canonical SMILES for 4,5-dichloro-8-methoxyquinoline is COc1ccc(Cl)c2c(Cl)ccnc12.
What is the InChIKey of 4,5-dichloro-8-methoxyquinoline?
The InChIKey is NEFIDYAMXSTZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO/c1-14-8-3-2-6(11)9-7(12)4-5-13-10(8)9/h2-5H,1H3.
What are the key properties of 4,5-dichloro-8-methoxyquinoline?
4,5-dichloro-8-methoxyquinoline has a molecular weight of 228.08 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-8-methoxyquinoline is sourced from PubChem (CID 43531957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).