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

C19H18ClN — CID 63561857

IUPAC8-benzyl-4-chloro-2-ethyl-3-methylquinoline
SMILESCCc1nc2c(Cc3ccccc3)cccc2c(Cl)c1C
InChIInChI=1S/C19H18ClN/c1-3-17-13(2)18(20)16-11-7-10-15(19(16)21-17)12-14-8-5-4-6-9-14/h4-11H,3,12H2,1-2H3
InChIKeyLSLSDLHBNRKNRT-UHFFFAOYSA-N
MW295.81 g/mol
LogP5.35
Rot. Bonds3

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

8-benzyl-4-chloro-2-ethyl-3-methylquinoline (PubChem CID 63561857) has the molecular formula C19H18ClN and a molecular weight of 295.81 g/mol. Its IUPAC name is 8-benzyl-4-chloro-2-ethyl-3-methylquinoline.

Molecular Properties

Compound Name8-benzyl-4-chloro-2-ethyl-3-methylquinoline
PubChem CID63561857
Molecular FormulaC19H18ClN
Molecular Weight295.81 g/mol
Exact Mass295.11
IUPAC Name8-benzyl-4-chloro-2-ethyl-3-methylquinoline
SMILESCCc1nc2c(Cc3ccccc3)cccc2c(Cl)c1C
InChIInChI=1S/C19H18ClN/c1-3-17-13(2)18(20)16-11-7-10-15(19(16)21-17)12-14-8-5-4-6-9-14/h4-11H,3,12H2,1-2H3
InChIKeyLSLSDLHBNRKNRT-UHFFFAOYSA-N
XLogP5.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.81
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-4-chloro-2-ethyl-3-methylquinoline?
The IUPAC name of 8-benzyl-4-chloro-2-ethyl-3-methylquinoline (CID 63561857) is 8-benzyl-4-chloro-2-ethyl-3-methylquinoline.
What is the SMILES notation for 8-benzyl-4-chloro-2-ethyl-3-methylquinoline?
The canonical SMILES for 8-benzyl-4-chloro-2-ethyl-3-methylquinoline is CCc1nc2c(Cc3ccccc3)cccc2c(Cl)c1C.
What is the InChIKey of 8-benzyl-4-chloro-2-ethyl-3-methylquinoline?
The InChIKey is LSLSDLHBNRKNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN/c1-3-17-13(2)18(20)16-11-7-10-15(19(16)21-17)12-14-8-5-4-6-9-14/h4-11H,3,12H2,1-2H3.
What are the key properties of 8-benzyl-4-chloro-2-ethyl-3-methylquinoline?
8-benzyl-4-chloro-2-ethyl-3-methylquinoline has a molecular weight of 295.81 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-4-chloro-2-ethyl-3-methylquinoline is sourced from PubChem (CID 63561857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).