1-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone

C15H17N3O — CID 122567949

IUPAC1-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CCCc2cc(-c3cnn(C)c3)ccc21
InChIInChI=1S/C15H17N3O/c1-11(19)18-7-3-4-13-8-12(5-6-15(13)18)14-9-16-17(2)10-14/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyMMTDXJGWBSKWGO-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.39
Rot. Bonds1

About 1-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 122567949) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID122567949
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CCCc2cc(-c3cnn(C)c3)ccc21
InChIInChI=1S/C15H17N3O/c1-11(19)18-7-3-4-13-8-12(5-6-15(13)18)14-9-16-17(2)10-14/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyMMTDXJGWBSKWGO-UHFFFAOYSA-N
XLogP2.39
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 122567949) is 1-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1CCCc2cc(-c3cnn(C)c3)ccc21.
What is the InChIKey of 1-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is MMTDXJGWBSKWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11(19)18-7-3-4-13-8-12(5-6-15(13)18)14-9-16-17(2)10-14/h5-6,8-10H,3-4,7H2,1-2H3.
What are the key properties of 1-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 255.32 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 122567949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).