5-chloro-6-(2-fluorophenyl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline

C19H21ClFN — CID 11666856

IUPAC5-chloro-6-(2-fluorophenyl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
SMILESCc1cc(-c2ccccc2F)c(Cl)c2c1NC(C)(C)CC2C
InChIInChI=1S/C19H21ClFN/c1-11-9-14(13-7-5-6-8-15(13)21)17(20)16-12(2)10-19(3,4)22-18(11)16/h5-9,12,22H,10H2,1-4H3
InChIKeyCDXGHKXHNZFIML-UHFFFAOYSA-N
MW317.83 g/mol
LogP6.15
Rot. Bonds1

About 5-chloro-6-(2-fluorophenyl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline

5-chloro-6-(2-fluorophenyl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline (PubChem CID 11666856) has the molecular formula C19H21ClFN and a molecular weight of 317.83 g/mol. Its IUPAC name is 5-chloro-6-(2-fluorophenyl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name5-chloro-6-(2-fluorophenyl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
PubChem CID11666856
Molecular FormulaC19H21ClFN
Molecular Weight317.83 g/mol
Exact Mass317.13
IUPAC Name5-chloro-6-(2-fluorophenyl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
SMILESCc1cc(-c2ccccc2F)c(Cl)c2c1NC(C)(C)CC2C
InChIInChI=1S/C19H21ClFN/c1-11-9-14(13-7-5-6-8-15(13)21)17(20)16-12(2)10-19(3,4)22-18(11)16/h5-9,12,22H,10H2,1-4H3
InChIKeyCDXGHKXHNZFIML-UHFFFAOYSA-N
XLogP6.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.83
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-fluorophenyl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline?
The IUPAC name of 5-chloro-6-(2-fluorophenyl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline (CID 11666856) is 5-chloro-6-(2-fluorophenyl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 5-chloro-6-(2-fluorophenyl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline?
The canonical SMILES for 5-chloro-6-(2-fluorophenyl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline is Cc1cc(-c2ccccc2F)c(Cl)c2c1NC(C)(C)CC2C.
What is the InChIKey of 5-chloro-6-(2-fluorophenyl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline?
The InChIKey is CDXGHKXHNZFIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN/c1-11-9-14(13-7-5-6-8-15(13)21)17(20)16-12(2)10-19(3,4)22-18(11)16/h5-9,12,22H,10H2,1-4H3.
What are the key properties of 5-chloro-6-(2-fluorophenyl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline?
5-chloro-6-(2-fluorophenyl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline has a molecular weight of 317.83 g/mol, XLogP of 6.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2-fluorophenyl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 11666856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).