4-chloro-7-methoxyquinoline

C10H8ClNO — CID 10607829

IUPAC4-chloro-7-methoxyquinoline
SMILESCOc1ccc2c(Cl)ccnc2c1
InChIInChI=1S/C10H8ClNO/c1-13-7-2-3-8-9(11)4-5-12-10(8)6-7/h2-6H,1H3
InChIKeyUKTYNFPTZDSBLR-UHFFFAOYSA-N
MW193.63 g/mol
LogP2.90
Rot. Bonds1

About 4-chloro-7-methoxyquinoline

4-chloro-7-methoxyquinoline (PubChem CID 10607829) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is 4-chloro-7-methoxyquinoline.

Molecular Properties

Compound Name4-chloro-7-methoxyquinoline
PubChem CID10607829
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name4-chloro-7-methoxyquinoline
SMILESCOc1ccc2c(Cl)ccnc2c1
InChIInChI=1S/C10H8ClNO/c1-13-7-2-3-8-9(11)4-5-12-10(8)6-7/h2-6H,1H3
InChIKeyUKTYNFPTZDSBLR-UHFFFAOYSA-N
XLogP2.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-methoxyquinoline?
The IUPAC name of 4-chloro-7-methoxyquinoline (CID 10607829) is 4-chloro-7-methoxyquinoline.
What is the SMILES notation for 4-chloro-7-methoxyquinoline?
The canonical SMILES for 4-chloro-7-methoxyquinoline is COc1ccc2c(Cl)ccnc2c1.
What is the InChIKey of 4-chloro-7-methoxyquinoline?
The InChIKey is UKTYNFPTZDSBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c1-13-7-2-3-8-9(11)4-5-12-10(8)6-7/h2-6H,1H3.
What are the key properties of 4-chloro-7-methoxyquinoline?
4-chloro-7-methoxyquinoline has a molecular weight of 193.63 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-methoxyquinoline is sourced from PubChem (CID 10607829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).