(2-fluoro-6-pyrazol-1-ylphenyl)-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone

C20H18FN3O2 — CID 167802031

IUPAC(2-fluoro-6-pyrazol-1-ylphenyl)-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESO=C(c1c(F)cccc1-n1cccn1)N1CC(CO)Cc2ccccc21
InChIInChI=1S/C20H18FN3O2/c21-16-6-3-8-18(24-10-4-9-22-24)19(16)20(26)23-12-14(13-25)11-15-5-1-2-7-17(15)23/h1-10,14,25H,11-13H2
InChIKeyNCWNWTYONARVMZ-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.82
Rot. Bonds3

About (2-fluoro-6-pyrazol-1-ylphenyl)-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone

(2-fluoro-6-pyrazol-1-ylphenyl)-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 167802031) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is (2-fluoro-6-pyrazol-1-ylphenyl)-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-6-pyrazol-1-ylphenyl)-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID167802031
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name(2-fluoro-6-pyrazol-1-ylphenyl)-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESO=C(c1c(F)cccc1-n1cccn1)N1CC(CO)Cc2ccccc21
InChIInChI=1S/C20H18FN3O2/c21-16-6-3-8-18(24-10-4-9-22-24)19(16)20(26)23-12-14(13-25)11-15-5-1-2-7-17(15)23/h1-10,14,25H,11-13H2
InChIKeyNCWNWTYONARVMZ-UHFFFAOYSA-N
XLogP2.82
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluoro-6-methylphenyl)-[(3R)-3-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 176706267
N-[2-(2-fluoro-6-pyrazol-1-ylbenzoyl)-2-azabicyclo[2.1.1]hexan-4-yl]-3-methylsulfanylpropanamide
CID 167984861
[3-(2-chlorophenyl)triazol-4-yl]-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 167901286
2-fluoro-N'-hydroxy-6-pyrazol-1-ylbenzenecarboximidamide
CID 79519881
5-[8-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyrazole-4-carbonitrile
CID 154847002
(2-amino-3-fluorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63499391
[8-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]-[(4R)-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanone
CID 166254911
[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]-(5-phenyl-2,3-dihydro-1,4-oxathiin-6-yl)methanone
CID 166250087
4-(hydroxymethyl)-1-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidin-2-one
CID 168661627
3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63466515
(1-ethylimidazol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 136544256
(2-fluoro-6-methylphenyl)-[(3R)-3-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone;N-hexan-3-ylaniline;prop-1-ene
CID 176706266

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-pyrazol-1-ylphenyl)-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of (2-fluoro-6-pyrazol-1-ylphenyl)-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 167802031) is (2-fluoro-6-pyrazol-1-ylphenyl)-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for (2-fluoro-6-pyrazol-1-ylphenyl)-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for (2-fluoro-6-pyrazol-1-ylphenyl)-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone is O=C(c1c(F)cccc1-n1cccn1)N1CC(CO)Cc2ccccc21.
What is the InChIKey of (2-fluoro-6-pyrazol-1-ylphenyl)-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is NCWNWTYONARVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c21-16-6-3-8-18(24-10-4-9-22-24)19(16)20(26)23-12-14(13-25)11-15-5-1-2-7-17(15)23/h1-10,14,25H,11-13H2.
What are the key properties of (2-fluoro-6-pyrazol-1-ylphenyl)-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
(2-fluoro-6-pyrazol-1-ylphenyl)-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 351.38 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-pyrazol-1-ylphenyl)-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 167802031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).