(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone

C20H16F3N3O — CID 55881783

IUPAC(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone
SMILESCc1c(C(=O)N2CCCc3cc(F)cc(F)c32)cnn1-c1ccccc1F
InChIInChI=1S/C20H16F3N3O/c1-12-15(11-24-26(12)18-7-3-2-6-16(18)22)20(27)25-8-4-5-13-9-14(21)10-17(23)19(13)25/h2-3,6-7,9-11H,4-5,8H2,1H3
InChIKeyRRAIJHMIQIPLDQ-UHFFFAOYSA-N
MW371.36 g/mol
LogP4.19
Rot. Bonds2

About (6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone

(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone (PubChem CID 55881783) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is (6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone.

Molecular Properties

Compound Name(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone
PubChem CID55881783
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone
SMILESCc1c(C(=O)N2CCCc3cc(F)cc(F)c32)cnn1-c1ccccc1F
InChIInChI=1S/C20H16F3N3O/c1-12-15(11-24-26(12)18-7-3-2-6-16(18)22)20(27)25-8-4-5-13-9-14(21)10-17(23)19(13)25/h2-3,6-7,9-11H,4-5,8H2,1H3
InChIKeyRRAIJHMIQIPLDQ-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

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(4-ethylpiperazin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone
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2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2-methylpropanoic acid
CID 75417905
N-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
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1-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 55520901
N'-(2-fluorobenzoyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
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Frequently Asked Questions

What is the IUPAC name of (6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone?
The IUPAC name of (6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone (CID 55881783) is (6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone.
What is the SMILES notation for (6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone?
The canonical SMILES for (6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone is Cc1c(C(=O)N2CCCc3cc(F)cc(F)c32)cnn1-c1ccccc1F.
What is the InChIKey of (6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone?
The InChIKey is RRAIJHMIQIPLDQ-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)25-8-4-5-13-9-14(21)10-17(23)19(13)25/h2-3,6-7,9-11H,4-5,8H2,1H3.
What are the key properties of (6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone?
(6,8-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 (6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone is sourced from PubChem (CID 55881783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).