1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one

C17H19F2N3O2 — CID 86798226

IUPAC1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
SMILESCn1nccc1CCC(=O)N1CCCc2cccc(OC(F)F)c21
InChIInChI=1S/C17H19F2N3O2/c1-21-13(9-10-20-21)7-8-15(23)22-11-3-5-12-4-2-6-14(16(12)22)24-17(18)19/h2,4,6,9-10,17H,3,5,7-8,11H2,1H3
InChIKeyKOFJEWNFQQDDLI-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.93
Rot. Bonds5

About 1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one

1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one (PubChem CID 86798226) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is 1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
PubChem CID86798226
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC Name1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
SMILESCn1nccc1CCC(=O)N1CCCc2cccc(OC(F)F)c21
InChIInChI=1S/C17H19F2N3O2/c1-21-13(9-10-20-21)7-8-15(23)22-11-3-5-12-4-2-6-14(16(12)22)24-17(18)19/h2,4,6,9-10,17H,3,5,7-8,11H2,1H3
InChIKeyKOFJEWNFQQDDLI-UHFFFAOYSA-N
XLogP2.93
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one with MolForge

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Related Compounds

1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 60581587
5-bromo-2-[4-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 60581553
N-[4-[8-(difluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]acetamide
CID 60581444
2-bromo-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 63681436
(6-chloro-3-pyridinyl)-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 60581548
3-amino-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 54876637
[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone
CID 126780966
3-(ethylamino)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 62834203
3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
CID 103007449
2-(1-aminocyclopentyl)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 64677547
2-[4-[(E)-3-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetonitrile
CID 60581774
1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115950342

Frequently Asked Questions

What is the IUPAC name of 1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
The IUPAC name of 1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one (CID 86798226) is 1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one.
What is the SMILES notation for 1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
The canonical SMILES for 1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one is Cn1nccc1CCC(=O)N1CCCc2cccc(OC(F)F)c21.
What is the InChIKey of 1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
The InChIKey is KOFJEWNFQQDDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-21-13(9-10-20-21)7-8-15(23)22-11-3-5-12-4-2-6-14(16(12)22)24-17(18)19/h2,4,6,9-10,17H,3,5,7-8,11H2,1H3.
What are the key properties of 1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one has a molecular weight of 335.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one is sourced from PubChem (CID 86798226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).