1-(5-fluoro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

C18H22FN3O — CID 56784476

IUPAC1-(5-fluoro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCc1ccc(F)c2c1N(C(=O)Cc1c(C)nn(C)c1C)CCC2
InChIInChI=1S/C18H22FN3O/c1-11-7-8-16(19)14-6-5-9-22(18(11)14)17(23)10-15-12(2)20-21(4)13(15)3/h7-8H,5-6,9-10H2,1-4H3
InChIKeyBRYBBTKUQLEQIT-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.01
Rot. Bonds2

About 1-(5-fluoro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

1-(5-fluoro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone (PubChem CID 56784476) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 1-(5-fluoro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
PubChem CID56784476
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name1-(5-fluoro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCc1ccc(F)c2c1N(C(=O)Cc1c(C)nn(C)c1C)CCC2
InChIInChI=1S/C18H22FN3O/c1-11-7-8-16(19)14-6-5-9-22(18(11)14)17(23)10-15-12(2)20-21(4)13(15)3/h7-8H,5-6,9-10H2,1-4H3
InChIKeyBRYBBTKUQLEQIT-UHFFFAOYSA-N
XLogP3.01
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(5-fluoro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone (CID 56784476) is 1-(5-fluoro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(5-fluoro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(5-fluoro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone is Cc1ccc(F)c2c1N(C(=O)Cc1c(C)nn(C)c1C)CCC2.
What is the InChIKey of 1-(5-fluoro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The InChIKey is BRYBBTKUQLEQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-11-7-8-16(19)14-6-5-9-22(18(11)14)17(23)10-15-12(2)20-21(4)13(15)3/h7-8H,5-6,9-10H2,1-4H3.
What are the key properties of 1-(5-fluoro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
1-(5-fluoro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone has a molecular weight of 315.39 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 56784476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).