4-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;pentane

C21H33N3 — CID 145091251

IUPAC4-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;pentane
SMILESCCC1CCN(C)c2ccc(-c3cnn(C)c3)cc21.CCCCC
InChIInChI=1S/C16H21N3.C5H12/c1-4-12-7-8-18(2)16-6-5-13(9-15(12)16)14-10-17-19(3)11-14;1-3-5-4-2/h5-6,9-12H,4,7-8H2,1-3H3;3-5H2,1-2H3
InChIKeyISUOLZUSCVKMGX-UHFFFAOYSA-N
MW327.52 g/mol
LogP5.62
Rot. Bonds4

About 4-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;pentane

4-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;pentane (PubChem CID 145091251) has the molecular formula C21H33N3 and a molecular weight of 327.52 g/mol. Its IUPAC name is 4-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;pentane.

Molecular Properties

Compound Name4-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;pentane
PubChem CID145091251
Molecular FormulaC21H33N3
Molecular Weight327.52 g/mol
Exact Mass327.27
IUPAC Name4-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;pentane
SMILESCCC1CCN(C)c2ccc(-c3cnn(C)c3)cc21.CCCCC
InChIInChI=1S/C16H21N3.C5H12/c1-4-12-7-8-18(2)16-6-5-13(9-15(12)16)14-10-17-19(3)11-14;1-3-5-4-2/h5-6,9-12H,4,7-8H2,1-3H3;3-5H2,1-2H3
InChIKeyISUOLZUSCVKMGX-UHFFFAOYSA-N
XLogP5.62
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.52
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 121372758
hexane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 145091683
1-[3-[(4S)-4-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 145092196
1,3-dimethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;heptane
CID 145105875
2-[(3S)-5-(1-methylpyrazol-4-yl)-1-propan-2-yl-2,3-dihydroindol-3-yl]acetonitrile
CID 121382703
(3R)-1-butan-2-yl-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 139398709
ethane;1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 145058420
acetonitrile;acetylene;ethane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 145091659
4-ethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-quinoxaline
CID 130440415
(3R)-1-ethyl-3-[2-[4-[(3S)-3-ethyl-1-propan-2-yl-2,3-dihydroindol-5-yl]-1-methylpyrazol-3-yl]ethyl]-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 130440417
(3R)-3-ethyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline
CID 121382739
5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-amine
CID 176983699

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;pentane?
The IUPAC name of 4-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;pentane (CID 145091251) is 4-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;pentane.
What is the SMILES notation for 4-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;pentane?
The canonical SMILES for 4-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;pentane is CCC1CCN(C)c2ccc(-c3cnn(C)c3)cc21.CCCCC.
What is the InChIKey of 4-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;pentane?
The InChIKey is ISUOLZUSCVKMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3.C5H12/c1-4-12-7-8-18(2)16-6-5-13(9-15(12)16)14-10-17-19(3)11-14;1-3-5-4-2/h5-6,9-12H,4,7-8H2,1-3H3;3-5H2,1-2H3.
What are the key properties of 4-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;pentane?
4-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;pentane has a molecular weight of 327.52 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;pentane is sourced from PubChem (CID 145091251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).