(4,4-difluoropiperidin-1-yl)-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone

C22H24F2N4O — CID 46991473

IUPAC(4,4-difluoropiperidin-1-yl)-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
SMILESCc1ccc2c(C(=O)N3CCC(F)(F)CC3)cc(-c3cnn(C(C)C)c3)nc2c1
InChIInChI=1S/C22H24F2N4O/c1-14(2)28-13-16(12-25-28)19-11-18(17-5-4-15(3)10-20(17)26-19)21(29)27-8-6-22(23,24)7-9-27/h4-5,10-14H,6-9H2,1-3H3
InChIKeyXZBHPBKZJXSLCS-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.86
Rot. Bonds3

About (4,4-difluoropiperidin-1-yl)-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone

(4,4-difluoropiperidin-1-yl)-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone (PubChem CID 46991473) has the molecular formula C22H24F2N4O and a molecular weight of 398.46 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
PubChem CID46991473
Molecular FormulaC22H24F2N4O
Molecular Weight398.46 g/mol
Exact Mass398.19
IUPAC Name(4,4-difluoropiperidin-1-yl)-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
SMILESCc1ccc2c(C(=O)N3CCC(F)(F)CC3)cc(-c3cnn(C(C)C)c3)nc2c1
InChIInChI=1S/C22H24F2N4O/c1-14(2)28-13-16(12-25-28)19-11-18(17-5-4-15(3)10-20(17)26-19)21(29)27-8-6-22(23,24)7-9-27/h4-5,10-14H,6-9H2,1-3H3
InChIKeyXZBHPBKZJXSLCS-UHFFFAOYSA-N
XLogP4.86
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-methylpiperidin-1-yl]-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 95046617
[2-(2-cyclopropylpyrimidin-5-yl)-7-methylquinolin-4-yl]-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 46984849
1-[5,7-dimethyl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-4-carbonitrile
CID 46986531
(2-methylpyrrolidin-1-yl)-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46988948
[6-fluoro-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 45171328
(2,4-dimethyl-1,4-diazepan-1-yl)-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46991420
azocan-1-yl-[7-fluoro-2-(2-methylpyrimidin-5-yl)quinolin-4-yl]methanone
CID 46996613
[7-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 46995494
(2,4-dimethyl-1,4-diazepan-1-yl)-[6-fluoro-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46993429
(3,3-dimethylpyrrolidin-1-yl)-[2-(2-ethylpyrimidin-5-yl)-7-fluoroquinolin-4-yl]methanone
CID 46990570
[7-fluoro-2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]-thiomorpholin-4-ylmethanone
CID 29024640
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone (CID 46991473) is (4,4-difluoropiperidin-1-yl)-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone is Cc1ccc2c(C(=O)N3CCC(F)(F)CC3)cc(-c3cnn(C(C)C)c3)nc2c1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone?
The InChIKey is XZBHPBKZJXSLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O/c1-14(2)28-13-16(12-25-28)19-11-18(17-5-4-15(3)10-20(17)26-19)21(29)27-8-6-22(23,24)7-9-27/h4-5,10-14H,6-9H2,1-3H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone has a molecular weight of 398.46 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone is sourced from PubChem (CID 46991473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).