4-chloro-2-ethyl-3,5,7-trimethylquinoline

C14H16ClN — CID 63561497

IUPAC4-chloro-2-ethyl-3,5,7-trimethylquinoline
SMILESCCc1nc2cc(C)cc(C)c2c(Cl)c1C
InChIInChI=1S/C14H16ClN/c1-5-11-10(4)14(15)13-9(3)6-8(2)7-12(13)16-11/h6-7H,5H2,1-4H3
InChIKeyDVZUCMJNPCWYAT-UHFFFAOYSA-N
MW233.74 g/mol
LogP4.38
Rot. Bonds1

About 4-chloro-2-ethyl-3,5,7-trimethylquinoline

4-chloro-2-ethyl-3,5,7-trimethylquinoline (PubChem CID 63561497) has the molecular formula C14H16ClN and a molecular weight of 233.74 g/mol. Its IUPAC name is 4-chloro-2-ethyl-3,5,7-trimethylquinoline.

Molecular Properties

Compound Name4-chloro-2-ethyl-3,5,7-trimethylquinoline
PubChem CID63561497
Molecular FormulaC14H16ClN
Molecular Weight233.74 g/mol
Exact Mass233.10
IUPAC Name4-chloro-2-ethyl-3,5,7-trimethylquinoline
SMILESCCc1nc2cc(C)cc(C)c2c(Cl)c1C
InChIInChI=1S/C14H16ClN/c1-5-11-10(4)14(15)13-9(3)6-8(2)7-12(13)16-11/h6-7H,5H2,1-4H3
InChIKeyDVZUCMJNPCWYAT-UHFFFAOYSA-N
XLogP4.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-3,5,7-trimethylquinoline?
The IUPAC name of 4-chloro-2-ethyl-3,5,7-trimethylquinoline (CID 63561497) is 4-chloro-2-ethyl-3,5,7-trimethylquinoline.
What is the SMILES notation for 4-chloro-2-ethyl-3,5,7-trimethylquinoline?
The canonical SMILES for 4-chloro-2-ethyl-3,5,7-trimethylquinoline is CCc1nc2cc(C)cc(C)c2c(Cl)c1C.
What is the InChIKey of 4-chloro-2-ethyl-3,5,7-trimethylquinoline?
The InChIKey is DVZUCMJNPCWYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN/c1-5-11-10(4)14(15)13-9(3)6-8(2)7-12(13)16-11/h6-7H,5H2,1-4H3.
What are the key properties of 4-chloro-2-ethyl-3,5,7-trimethylquinoline?
4-chloro-2-ethyl-3,5,7-trimethylquinoline has a molecular weight of 233.74 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-3,5,7-trimethylquinoline is sourced from PubChem (CID 63561497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).