7-chloro-3-methylquinoline

C10H8ClN — CID 23510375

IUPAC7-chloro-3-methylquinoline
SMILESCc1cnc2cc(Cl)ccc2c1
InChIInChI=1S/C10H8ClN/c1-7-4-8-2-3-9(11)5-10(8)12-6-7/h2-6H,1H3
InChIKeyFKYHSWFYBFHXKN-UHFFFAOYSA-N
MW177.63 g/mol
LogP3.20
Rot. Bonds

About 7-chloro-3-methylquinoline

7-chloro-3-methylquinoline (PubChem CID 23510375) has the molecular formula C10H8ClN and a molecular weight of 177.63 g/mol. Its IUPAC name is 7-chloro-3-methylquinoline.

Molecular Properties

Compound Name7-chloro-3-methylquinoline
PubChem CID23510375
Molecular FormulaC10H8ClN
Molecular Weight177.63 g/mol
Exact Mass177.03
IUPAC Name7-chloro-3-methylquinoline
SMILESCc1cnc2cc(Cl)ccc2c1
InChIInChI=1S/C10H8ClN/c1-7-4-8-2-3-9(11)5-10(8)12-6-7/h2-6H,1H3
InChIKeyFKYHSWFYBFHXKN-UHFFFAOYSA-N
XLogP3.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methylquinoline?
The IUPAC name of 7-chloro-3-methylquinoline (CID 23510375) is 7-chloro-3-methylquinoline.
What is the SMILES notation for 7-chloro-3-methylquinoline?
The canonical SMILES for 7-chloro-3-methylquinoline is Cc1cnc2cc(Cl)ccc2c1.
What is the InChIKey of 7-chloro-3-methylquinoline?
The InChIKey is FKYHSWFYBFHXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN/c1-7-4-8-2-3-9(11)5-10(8)12-6-7/h2-6H,1H3.
What are the key properties of 7-chloro-3-methylquinoline?
7-chloro-3-methylquinoline has a molecular weight of 177.63 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methylquinoline is sourced from PubChem (CID 23510375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).