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

C18H16ClN — CID 71419956

IUPAC6-chloro-2-ethyl-3-methyl-4-phenylquinoline
SMILESCCc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C
InChIInChI=1S/C18H16ClN/c1-3-16-12(2)18(13-7-5-4-6-8-13)15-11-14(19)9-10-17(15)20-16/h4-11H,3H2,1-2H3
InChIKeyPSTUCEGOSPIXRN-UHFFFAOYSA-N
MW281.79 g/mol
LogP5.43
Rot. Bonds2

About 6-chloro-2-ethyl-3-methyl-4-phenylquinoline

6-chloro-2-ethyl-3-methyl-4-phenylquinoline (PubChem CID 71419956) has the molecular formula C18H16ClN and a molecular weight of 281.79 g/mol. Its IUPAC name is 6-chloro-2-ethyl-3-methyl-4-phenylquinoline.

Molecular Properties

Compound Name6-chloro-2-ethyl-3-methyl-4-phenylquinoline
PubChem CID71419956
Molecular FormulaC18H16ClN
Molecular Weight281.79 g/mol
Exact Mass281.10
IUPAC Name6-chloro-2-ethyl-3-methyl-4-phenylquinoline
SMILESCCc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C
InChIInChI=1S/C18H16ClN/c1-3-16-12(2)18(13-7-5-4-6-8-13)15-11-14(19)9-10-17(15)20-16/h4-11H,3H2,1-2H3
InChIKeyPSTUCEGOSPIXRN-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

Acridine
CID 9215
2-Phenylquinoline
CID 71545
2,4-Dimethylquinoline
CID 14536
6-Chloroquinoline
CID 69163
Acridine, 1,2,3,4-tetrahydro-9-amino-7-chloro-
CID 22493
9-Chloro-1,2,3,4-tetrahydroacridine
CID 21495
9-Methylacridine
CID 11913
9-Chloroacridine
CID 71013
2-Chloro-3-(chloromethyl)quinoline
CID 2063384
7-Chloro-2-methylquinoline
CID 138395
2-Chloroquinoline
CID 11928
3-Chloro-9-Ethyl-6,7,8,9,10,11-Hexahydro-7,11-Methanocycloocta[B]Quinolin-12-Amine
CID 5288588

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-3-methyl-4-phenylquinoline?
The IUPAC name of 6-chloro-2-ethyl-3-methyl-4-phenylquinoline (CID 71419956) is 6-chloro-2-ethyl-3-methyl-4-phenylquinoline.
What is the SMILES notation for 6-chloro-2-ethyl-3-methyl-4-phenylquinoline?
The canonical SMILES for 6-chloro-2-ethyl-3-methyl-4-phenylquinoline is CCc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C.
What is the InChIKey of 6-chloro-2-ethyl-3-methyl-4-phenylquinoline?
The InChIKey is PSTUCEGOSPIXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN/c1-3-16-12(2)18(13-7-5-4-6-8-13)15-11-14(19)9-10-17(15)20-16/h4-11H,3H2,1-2H3.
What are the key properties of 6-chloro-2-ethyl-3-methyl-4-phenylquinoline?
6-chloro-2-ethyl-3-methyl-4-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 6-chloro-2-ethyl-3-methyl-4-phenylquinoline is sourced from PubChem (CID 71419956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).