(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone

C20H16F3N3O — CID 55671504

IUPAC(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone
SMILESCc1c(C(=O)N2CCCc3c(F)cc(F)cc32)cnn1-c1ccccc1F
InChIInChI=1S/C20H16F3N3O/c1-12-15(11-24-26(12)18-7-3-2-6-16(18)22)20(27)25-8-4-5-14-17(23)9-13(21)10-19(14)25/h2-3,6-7,9-11H,4-5,8H2,1H3
InChIKeySRCDUVYOSBOCDI-UHFFFAOYSA-N
MW371.36 g/mol
LogP4.19
Rot. Bonds2

About (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone

(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone (PubChem CID 55671504) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone.

Molecular Properties

Compound Name(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone
PubChem CID55671504
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone
SMILESCc1c(C(=O)N2CCCc3c(F)cc(F)cc32)cnn1-c1ccccc1F
InChIInChI=1S/C20H16F3N3O/c1-12-15(11-24-26(12)18-7-3-2-6-16(18)22)20(27)25-8-4-5-14-17(23)9-13(21)10-19(14)25/h2-3,6-7,9-11H,4-5,8H2,1H3
InChIKeySRCDUVYOSBOCDI-UHFFFAOYSA-N
XLogP4.19
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone
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[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 55581576
(4-ethylpiperazin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone
CID 134023843
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CID 52723946
[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 134026359
[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-(3-propan-2-yl-2,3-dihydroindol-1-yl)methanone
CID 166272815
[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38169423
(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 47029825
(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanone
CID 55671443
(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(2-morpholin-4-yl-3-pyridinyl)methanone
CID 47029810
[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 71897836
(2-cyclopentylsulfanyl-3-pyridinyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone?
The IUPAC name of (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone (CID 55671504) is (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone.
What is the SMILES notation for (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone?
The canonical SMILES for (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone is Cc1c(C(=O)N2CCCc3c(F)cc(F)cc32)cnn1-c1ccccc1F.
What is the InChIKey of (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone?
The InChIKey is SRCDUVYOSBOCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O/c1-12-15(11-24-26(12)18-7-3-2-6-16(18)22)20(27)25-8-4-5-14-17(23)9-13(21)10-19(14)25/h2-3,6-7,9-11H,4-5,8H2,1H3.
What are the key properties of (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone?
(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone has a molecular weight of 371.36 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone is sourced from PubChem (CID 55671504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).