cyclopropyl-[8-fluoro-2-methyl-5-phenoxy-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone

C28H31FN4O2 — CID 118076286

IUPACcyclopropyl-[8-fluoro-2-methyl-5-phenoxy-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCC1CCc2c(Oc3ccccc3)c(-c3cnn(C4CCNCC4)c3)cc(F)c2N1C(=O)C1CC1
InChIInChI=1S/C28H31FN4O2/c1-18-7-10-23-26(33(18)28(34)19-8-9-19)25(29)15-24(27(23)35-22-5-3-2-4-6-22)20-16-31-32(17-20)21-11-13-30-14-12-21/h2-6,15-19,21,30H,7-14H2,1H3
InChIKeyWYWYLOKEHCZWRJ-UHFFFAOYSA-N
MW474.58 g/mol
LogP5.48
Rot. Bonds5

About cyclopropyl-[8-fluoro-2-methyl-5-phenoxy-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone

cyclopropyl-[8-fluoro-2-methyl-5-phenoxy-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 118076286) has the molecular formula C28H31FN4O2 and a molecular weight of 474.58 g/mol. Its IUPAC name is cyclopropyl-[8-fluoro-2-methyl-5-phenoxy-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[8-fluoro-2-methyl-5-phenoxy-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID118076286
Molecular FormulaC28H31FN4O2
Molecular Weight474.58 g/mol
Exact Mass474.24
IUPAC Namecyclopropyl-[8-fluoro-2-methyl-5-phenoxy-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCC1CCc2c(Oc3ccccc3)c(-c3cnn(C4CCNCC4)c3)cc(F)c2N1C(=O)C1CC1
InChIInChI=1S/C28H31FN4O2/c1-18-7-10-23-26(33(18)28(34)19-8-9-19)25(29)15-24(27(23)35-22-5-3-2-4-6-22)20-16-31-32(17-20)21-11-13-30-14-12-21/h2-6,15-19,21,30H,7-14H2,1H3
InChIKeyWYWYLOKEHCZWRJ-UHFFFAOYSA-N
XLogP5.48
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.58
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[8-fluoro-2-methyl-5-phenoxy-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of cyclopropyl-[8-fluoro-2-methyl-5-phenoxy-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 118076286) is cyclopropyl-[8-fluoro-2-methyl-5-phenoxy-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[8-fluoro-2-methyl-5-phenoxy-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[8-fluoro-2-methyl-5-phenoxy-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone is CC1CCc2c(Oc3ccccc3)c(-c3cnn(C4CCNCC4)c3)cc(F)c2N1C(=O)C1CC1.
What is the InChIKey of cyclopropyl-[8-fluoro-2-methyl-5-phenoxy-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is WYWYLOKEHCZWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN4O2/c1-18-7-10-23-26(33(18)28(34)19-8-9-19)25(29)15-24(27(23)35-22-5-3-2-4-6-22)20-16-31-32(17-20)21-11-13-30-14-12-21/h2-6,15-19,21,30H,7-14H2,1H3.
What are the key properties of cyclopropyl-[8-fluoro-2-methyl-5-phenoxy-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
cyclopropyl-[8-fluoro-2-methyl-5-phenoxy-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 474.58 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[8-fluoro-2-methyl-5-phenoxy-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 118076286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).