2,2-difluoro-2-(3-methyl-2-pyridinyl)-1-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone

C20H18F2N4O — CID 166435948

IUPAC2,2-difluoro-2-(3-methyl-2-pyridinyl)-1-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCc1cccnc1C(F)(F)C(=O)N1CC(n2cccn2)Cc2ccccc21
InChIInChI=1S/C20H18F2N4O/c1-14-6-4-9-23-18(14)20(21,22)19(27)25-13-16(26-11-5-10-24-26)12-15-7-2-3-8-17(15)25/h2-11,16H,12-13H2,1H3
InChIKeyZAQYVUXMVCAEHJ-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.51
Rot. Bonds3

About 2,2-difluoro-2-(3-methyl-2-pyridinyl)-1-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone

2,2-difluoro-2-(3-methyl-2-pyridinyl)-1-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 166435948) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is 2,2-difluoro-2-(3-methyl-2-pyridinyl)-1-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-2-(3-methyl-2-pyridinyl)-1-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID166435948
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name2,2-difluoro-2-(3-methyl-2-pyridinyl)-1-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCc1cccnc1C(F)(F)C(=O)N1CC(n2cccn2)Cc2ccccc21
InChIInChI=1S/C20H18F2N4O/c1-14-6-4-9-23-18(14)20(21,22)19(27)25-13-16(26-11-5-10-24-26)12-15-7-2-3-8-17(15)25/h2-11,16H,12-13H2,1H3
InChIKeyZAQYVUXMVCAEHJ-UHFFFAOYSA-N
XLogP3.51
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,2-difluoro-2-(3-methyl-2-pyridinyl)-1-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone with MolForge

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Related Compounds

(2,6-dimethyl-3-pyridinyl)-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 95898778
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 71869146
1-[1-methyl-5-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]pyrrol-3-yl]ethanone
CID 124607429
3,4-dimethyl-5-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyridazin-6-one
CID 95898776
(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)-(thiolan-2-yl)methanone
CID 71925994
ethyl 2,4-dimethyl-5-[(3R)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 96517692
(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)propan-1-one
CID 95327955
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanone
CID 56781241
1-[2,2-difluoro-2-(3-methyl-2-pyridinyl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide
CID 154754983
(3S)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 100710098
(1-ethylimidazol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 136544256
1-[(6-chloro-3-pyridinyl)methylsulfonyl]-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline
CID 166215345

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(3-methyl-2-pyridinyl)-1-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2,2-difluoro-2-(3-methyl-2-pyridinyl)-1-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 166435948) is 2,2-difluoro-2-(3-methyl-2-pyridinyl)-1-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2,2-difluoro-2-(3-methyl-2-pyridinyl)-1-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2,2-difluoro-2-(3-methyl-2-pyridinyl)-1-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone is Cc1cccnc1C(F)(F)C(=O)N1CC(n2cccn2)Cc2ccccc21.
What is the InChIKey of 2,2-difluoro-2-(3-methyl-2-pyridinyl)-1-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is ZAQYVUXMVCAEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O/c1-14-6-4-9-23-18(14)20(21,22)19(27)25-13-16(26-11-5-10-24-26)12-15-7-2-3-8-17(15)25/h2-11,16H,12-13H2,1H3.
What are the key properties of 2,2-difluoro-2-(3-methyl-2-pyridinyl)-1-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
2,2-difluoro-2-(3-methyl-2-pyridinyl)-1-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 368.39 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(3-methyl-2-pyridinyl)-1-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 166435948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).