[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-(4-fluorophenyl)methanone

C25H23ClFNO — CID 3721009

IUPAC[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-(4-fluorophenyl)methanone
SMILESCC1(c2ccc(Cl)cc2)CC(C)(C)N(C(=O)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C25H23ClFNO/c1-24(2)16-25(3,18-10-12-19(26)13-11-18)21-6-4-5-7-22(21)28(24)23(29)17-8-14-20(27)15-9-17/h4-15H,16H2,1-3H3
InChIKeyLJVLRZWQCUSANA-UHFFFAOYSA-N
MW407.92 g/mol
LogP6.61
Rot. Bonds2

About [4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-(4-fluorophenyl)methanone

[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 3721009) has the molecular formula C25H23ClFNO and a molecular weight of 407.92 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-(4-fluorophenyl)methanone
PubChem CID3721009
Molecular FormulaC25H23ClFNO
Molecular Weight407.92 g/mol
Exact Mass407.15
IUPAC Name[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-(4-fluorophenyl)methanone
SMILESCC1(c2ccc(Cl)cc2)CC(C)(C)N(C(=O)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C25H23ClFNO/c1-24(2)16-25(3,18-10-12-19(26)13-11-18)21-6-4-5-7-22(21)28(24)23(29)17-8-14-20(27)15-9-17/h4-15H,16H2,1-3H3
InChIKeyLJVLRZWQCUSANA-UHFFFAOYSA-N
XLogP6.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.92
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-(4-fluorophenyl)methanone (CID 3721009) is [4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-(4-fluorophenyl)methanone is CC1(c2ccc(Cl)cc2)CC(C)(C)N(C(=O)c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of [4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is LJVLRZWQCUSANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFNO/c1-24(2)16-25(3,18-10-12-19(26)13-11-18)21-6-4-5-7-22(21)28(24)23(29)17-8-14-20(27)15-9-17/h4-15H,16H2,1-3H3.
What are the key properties of [4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-(4-fluorophenyl)methanone?
[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 407.92 g/mol, XLogP of 6.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 3721009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).