4-chloro-2-ethyl-3-methyl-8-phenylquinoline

C18H16ClN — CID 63561680

IUPAC4-chloro-2-ethyl-3-methyl-8-phenylquinoline
SMILESCCc1nc2c(-c3ccccc3)cccc2c(Cl)c1C
InChIInChI=1S/C18H16ClN/c1-3-16-12(2)17(19)15-11-7-10-14(18(15)20-16)13-8-5-4-6-9-13/h4-11H,3H2,1-2H3
InChIKeyQESUGGHJGJTGTM-UHFFFAOYSA-N
MW281.79 g/mol
LogP5.43
Rot. Bonds2

About 4-chloro-2-ethyl-3-methyl-8-phenylquinoline

4-chloro-2-ethyl-3-methyl-8-phenylquinoline (PubChem CID 63561680) has the molecular formula C18H16ClN and a molecular weight of 281.79 g/mol. Its IUPAC name is 4-chloro-2-ethyl-3-methyl-8-phenylquinoline.

Molecular Properties

Compound Name4-chloro-2-ethyl-3-methyl-8-phenylquinoline
PubChem CID63561680
Molecular FormulaC18H16ClN
Molecular Weight281.79 g/mol
Exact Mass281.10
IUPAC Name4-chloro-2-ethyl-3-methyl-8-phenylquinoline
SMILESCCc1nc2c(-c3ccccc3)cccc2c(Cl)c1C
InChIInChI=1S/C18H16ClN/c1-3-16-12(2)17(19)15-11-7-10-14(18(15)20-16)13-8-5-4-6-9-13/h4-11H,3H2,1-2H3
InChIKeyQESUGGHJGJTGTM-UHFFFAOYSA-N
XLogP5.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.79
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-benzyl-4-chloro-2-ethyl-3-methylquinoline
CID 63561857
4-chloro-2-ethyl-3-methyl-8-propoxyquinoline
CID 55221893
4-chloro-3-methyl-2-phenyl-8-propylquinoline
CID 104846017
9-chloro-5-phenyl-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 63408824
ethyl 4-chloro-8-phenylquinoline-3-carboxylate
CID 18549723
2,9-bis(3-ethyl-2-methylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 23405079
4-chloro-8-phenylquinolin-3-amine
CID 102614156
2-ethyl-4-naphthalen-2-yl-8-phenylquinazoline
CID 166801171
8-chloro-2-ethyl-3-methyl-N-propylquinolin-4-amine
CID 63560531
2-ethyl-N-(2-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-amine
CID 163933385
1-ethylnaphthalene;1-phenylnaphthalene
CID 173023243
2-chloro-8-phenyl-3-propylquinoline
CID 63531212

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-3-methyl-8-phenylquinoline?
The IUPAC name of 4-chloro-2-ethyl-3-methyl-8-phenylquinoline (CID 63561680) is 4-chloro-2-ethyl-3-methyl-8-phenylquinoline.
What is the SMILES notation for 4-chloro-2-ethyl-3-methyl-8-phenylquinoline?
The canonical SMILES for 4-chloro-2-ethyl-3-methyl-8-phenylquinoline is CCc1nc2c(-c3ccccc3)cccc2c(Cl)c1C.
What is the InChIKey of 4-chloro-2-ethyl-3-methyl-8-phenylquinoline?
The InChIKey is QESUGGHJGJTGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN/c1-3-16-12(2)17(19)15-11-7-10-14(18(15)20-16)13-8-5-4-6-9-13/h4-11H,3H2,1-2H3.
What are the key properties of 4-chloro-2-ethyl-3-methyl-8-phenylquinoline?
4-chloro-2-ethyl-3-methyl-8-phenylquinoline has a molecular weight of 281.79 g/mol, XLogP of 5.43, 2 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-methyl-8-phenylquinoline is sourced from PubChem (CID 63561680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).