[5-cyclobutyloxy-2-methyl-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone

C21H25N3O2 — CID 118076329

IUPAC[5-cyclobutyloxy-2-methyl-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
SMILESCC1CCc2c(ccc(-c3ccn[nH]3)c2OC2CCC2)N1C(=O)C1CC1
InChIInChI=1S/C21H25N3O2/c1-13-5-8-17-19(24(13)21(25)14-6-7-14)10-9-16(18-11-12-22-23-18)20(17)26-15-3-2-4-15/h9-15H,2-8H2,1H3,(H,22,23)
InChIKeyVWQNDJADSJOLOJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.09
Rot. Bonds4

About [5-cyclobutyloxy-2-methyl-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone

[5-cyclobutyloxy-2-methyl-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone (PubChem CID 118076329) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is [5-cyclobutyloxy-2-methyl-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[5-cyclobutyloxy-2-methyl-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
PubChem CID118076329
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name[5-cyclobutyloxy-2-methyl-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
SMILESCC1CCc2c(ccc(-c3ccn[nH]3)c2OC2CCC2)N1C(=O)C1CC1
InChIInChI=1S/C21H25N3O2/c1-13-5-8-17-19(24(13)21(25)14-6-7-14)10-9-16(18-11-12-22-23-18)20(17)26-15-3-2-4-15/h9-15H,2-8H2,1H3,(H,22,23)
InChIKeyVWQNDJADSJOLOJ-UHFFFAOYSA-N
XLogP4.09
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-5-cyclobutyloxy-2-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 118075626
[(2S)-5-cyclobutyloxy-2-methyl-6-(1-methylimidazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 118086199
[(2S)-5-cyclobutyloxy-2-methyl-6-(1-methyltriazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 118086195
[(2S)-5-cyclobutyloxy-2-methyl-6-[1-(1-piperidin-4-ylpiperidin-4-yl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 156635156
methyl (2S)-5-cyclobutyloxy-2-methyl-6-(2-piperidin-4-yl-1H-imidazol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 118086496
[(2S)-6-[1-[1-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]piperidin-4-yl]pyrazol-4-yl]-5-cyclobutyloxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 156635145
cyclopropyl-[(2S)-2-methyl-5-phenoxy-6-(2H-triazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 118075935
1-[5-cyclopentyloxy-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 123768060
methyl (2S)-5-cyclobutyloxy-2-methyl-6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1H-imidazol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 118075996
(2S)-5-cyclobutyloxy-2-methyl-6-[1-[(2S)-2-methylazetidin-3-yl]pyrazol-4-yl]-3,4-dihydro-2H-quinoline-1-carboxylic acid
CID 118076247
(2S)-5-cyclobutyloxy-2-methyl-6-[1-(2-methylazetidin-3-yl)pyrazol-4-yl]-3,4-dihydro-2H-quinoline-1-carboxylic acid
CID 118075908
5-cyclobutyloxy-2-methyl-6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1H-imidazol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxylic acid
CID 155408434

Frequently Asked Questions

What is the IUPAC name of [5-cyclobutyloxy-2-methyl-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone?
The IUPAC name of [5-cyclobutyloxy-2-methyl-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone (CID 118076329) is [5-cyclobutyloxy-2-methyl-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [5-cyclobutyloxy-2-methyl-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [5-cyclobutyloxy-2-methyl-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone is CC1CCc2c(ccc(-c3ccn[nH]3)c2OC2CCC2)N1C(=O)C1CC1.
What is the InChIKey of [5-cyclobutyloxy-2-methyl-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone?
The InChIKey is VWQNDJADSJOLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-13-5-8-17-19(24(13)21(25)14-6-7-14)10-9-16(18-11-12-22-23-18)20(17)26-15-3-2-4-15/h9-15H,2-8H2,1H3,(H,22,23).
What are the key properties of [5-cyclobutyloxy-2-methyl-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone?
[5-cyclobutyloxy-2-methyl-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone has a molecular weight of 351.45 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclobutyloxy-2-methyl-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 118076329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).