4-chloro-3-ethyl-6-fluoro-8-methoxy-2-methylquinoline

C13H13ClFNO — CID 54967653

IUPAC4-chloro-3-ethyl-6-fluoro-8-methoxy-2-methylquinoline
SMILESCCc1c(C)nc2c(OC)cc(F)cc2c1Cl
InChIInChI=1S/C13H13ClFNO/c1-4-9-7(2)16-13-10(12(9)14)5-8(15)6-11(13)17-3/h5-6H,4H2,1-3H3
InChIKeyKVNPERYHFQFONE-UHFFFAOYSA-N
MW253.70 g/mol
LogP3.91
Rot. Bonds2

About 4-chloro-3-ethyl-6-fluoro-8-methoxy-2-methylquinoline

4-chloro-3-ethyl-6-fluoro-8-methoxy-2-methylquinoline (PubChem CID 54967653) has the molecular formula C13H13ClFNO and a molecular weight of 253.70 g/mol. Its IUPAC name is 4-chloro-3-ethyl-6-fluoro-8-methoxy-2-methylquinoline.

Molecular Properties

Compound Name4-chloro-3-ethyl-6-fluoro-8-methoxy-2-methylquinoline
PubChem CID54967653
Molecular FormulaC13H13ClFNO
Molecular Weight253.70 g/mol
Exact Mass253.07
IUPAC Name4-chloro-3-ethyl-6-fluoro-8-methoxy-2-methylquinoline
SMILESCCc1c(C)nc2c(OC)cc(F)cc2c1Cl
InChIInChI=1S/C13H13ClFNO/c1-4-9-7(2)16-13-10(12(9)14)5-8(15)6-11(13)17-3/h5-6H,4H2,1-3H3
InChIKeyKVNPERYHFQFONE-UHFFFAOYSA-N
XLogP3.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.70
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethyl-6-fluoro-8-methoxy-2-methylquinoline?
The IUPAC name of 4-chloro-3-ethyl-6-fluoro-8-methoxy-2-methylquinoline (CID 54967653) is 4-chloro-3-ethyl-6-fluoro-8-methoxy-2-methylquinoline.
What is the SMILES notation for 4-chloro-3-ethyl-6-fluoro-8-methoxy-2-methylquinoline?
The canonical SMILES for 4-chloro-3-ethyl-6-fluoro-8-methoxy-2-methylquinoline is CCc1c(C)nc2c(OC)cc(F)cc2c1Cl.
What is the InChIKey of 4-chloro-3-ethyl-6-fluoro-8-methoxy-2-methylquinoline?
The InChIKey is KVNPERYHFQFONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNO/c1-4-9-7(2)16-13-10(12(9)14)5-8(15)6-11(13)17-3/h5-6H,4H2,1-3H3.
What are the key properties of 4-chloro-3-ethyl-6-fluoro-8-methoxy-2-methylquinoline?
4-chloro-3-ethyl-6-fluoro-8-methoxy-2-methylquinoline has a molecular weight of 253.70 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethyl-6-fluoro-8-methoxy-2-methylquinoline is sourced from PubChem (CID 54967653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).