1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-hydroxy-3-(1-methylpyrazol-4-yl)propan-1-one

C16H17F2N3O2 — CID 167900335

IUPAC1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-hydroxy-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCn1cc(CC(O)C(=O)N2CCCc3c(F)cc(F)cc32)cn1
InChIInChI=1S/C16H17F2N3O2/c1-20-9-10(8-19-20)5-15(22)16(23)21-4-2-3-12-13(18)6-11(17)7-14(12)21/h6-9,15,22H,2-5H2,1H3
InChIKeyGAZIBVSVLFLIIS-UHFFFAOYSA-N
MW321.33 g/mol
LogP1.58
Rot. Bonds3

About 1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-hydroxy-3-(1-methylpyrazol-4-yl)propan-1-one

1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-hydroxy-3-(1-methylpyrazol-4-yl)propan-1-one (PubChem CID 167900335) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is 1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-hydroxy-3-(1-methylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-hydroxy-3-(1-methylpyrazol-4-yl)propan-1-one
PubChem CID167900335
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-hydroxy-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCn1cc(CC(O)C(=O)N2CCCc3c(F)cc(F)cc32)cn1
InChIInChI=1S/C16H17F2N3O2/c1-20-9-10(8-19-20)5-15(22)16(23)21-4-2-3-12-13(18)6-11(17)7-14(12)21/h6-9,15,22H,2-5H2,1H3
InChIKeyGAZIBVSVLFLIIS-UHFFFAOYSA-N
XLogP1.58
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone
CID 55671504
4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)butan-2-ol
CID 103312451
2-(1-methylpyrazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol
CID 115780286
1-(4-chloro-2,5-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780481
(3aR,6aS)-2-[2-hydroxy-3-(1-methylpyrazol-4-yl)propanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxylic acid
CID 167834717
3-methyl-2-[(1-methylpyrazol-4-yl)methyl]butanoic acid
CID 62126220
N-[3-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 47029823
1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(2,4-dimethylquinolin-3-yl)ethanone
CID 55671799
1-(2,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 63086432
(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanone
CID 55671443
3-ethoxy-1-(1-methylpyrazol-4-yl)butan-2-ol
CID 64541540
1-(2-bromo-4-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780374

Frequently Asked Questions

What is the IUPAC name of 1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-hydroxy-3-(1-methylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-hydroxy-3-(1-methylpyrazol-4-yl)propan-1-one (CID 167900335) is 1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-hydroxy-3-(1-methylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-hydroxy-3-(1-methylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-hydroxy-3-(1-methylpyrazol-4-yl)propan-1-one is Cn1cc(CC(O)C(=O)N2CCCc3c(F)cc(F)cc32)cn1.
What is the InChIKey of 1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-hydroxy-3-(1-methylpyrazol-4-yl)propan-1-one?
The InChIKey is GAZIBVSVLFLIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-20-9-10(8-19-20)5-15(22)16(23)21-4-2-3-12-13(18)6-11(17)7-14(12)21/h6-9,15,22H,2-5H2,1H3.
What are the key properties of 1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-hydroxy-3-(1-methylpyrazol-4-yl)propan-1-one?
1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-hydroxy-3-(1-methylpyrazol-4-yl)propan-1-one has a molecular weight of 321.33 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-hydroxy-3-(1-methylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 167900335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).