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

C13H14ClNO — CID 790790

IUPAC4-chloro-3-ethyl-8-methoxy-2-methylquinoline
SMILESCCc1c(C)nc2c(OC)cccc2c1Cl
InChIInChI=1S/C13H14ClNO/c1-4-9-8(2)15-13-10(12(9)14)6-5-7-11(13)16-3/h5-7H,4H2,1-3H3
InChIKeyZNIRMMHYZZNFNX-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.77
Rot. Bonds2

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

4-chloro-3-ethyl-8-methoxy-2-methylquinoline (PubChem CID 790790) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 4-chloro-3-ethyl-8-methoxy-2-methylquinoline.

Molecular Properties

Compound Name4-chloro-3-ethyl-8-methoxy-2-methylquinoline
PubChem CID790790
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name4-chloro-3-ethyl-8-methoxy-2-methylquinoline
SMILESCCc1c(C)nc2c(OC)cccc2c1Cl
InChIInChI=1S/C13H14ClNO/c1-4-9-8(2)15-13-10(12(9)14)6-5-7-11(13)16-3/h5-7H,4H2,1-3H3
InChIKeyZNIRMMHYZZNFNX-UHFFFAOYSA-N
XLogP3.77
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.77
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-8-methoxy-2-methylquinoline?
The IUPAC name of 4-chloro-3-ethyl-8-methoxy-2-methylquinoline (CID 790790) is 4-chloro-3-ethyl-8-methoxy-2-methylquinoline.
What is the SMILES notation for 4-chloro-3-ethyl-8-methoxy-2-methylquinoline?
The canonical SMILES for 4-chloro-3-ethyl-8-methoxy-2-methylquinoline is CCc1c(C)nc2c(OC)cccc2c1Cl.
What is the InChIKey of 4-chloro-3-ethyl-8-methoxy-2-methylquinoline?
The InChIKey is ZNIRMMHYZZNFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c1-4-9-8(2)15-13-10(12(9)14)6-5-7-11(13)16-3/h5-7H,4H2,1-3H3.
What are the key properties of 4-chloro-3-ethyl-8-methoxy-2-methylquinoline?
4-chloro-3-ethyl-8-methoxy-2-methylquinoline has a molecular weight of 235.71 g/mol, XLogP of 3.77, 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-8-methoxy-2-methylquinoline is sourced from PubChem (CID 790790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).