3,4-dihydro-2H-quinolin-1-yl-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone

C19H24N4O — CID 54580341

IUPAC3,4-dihydro-2H-quinolin-1-yl-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
SMILESCn1cc(C2CCN(C(=O)N3CCCc4ccccc43)CC2)cn1
InChIInChI=1S/C19H24N4O/c1-21-14-17(13-20-21)15-8-11-22(12-9-15)19(24)23-10-4-6-16-5-2-3-7-18(16)23/h2-3,5,7,13-15H,4,6,8-12H2,1H3
InChIKeyOULYTLMMUGPJHL-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.17
Rot. Bonds1

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

3,4-dihydro-2H-quinolin-1-yl-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone (PubChem CID 54580341) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
PubChem CID54580341
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
SMILESCn1cc(C2CCN(C(=O)N3CCCc4ccccc43)CC2)cn1
InChIInChI=1S/C19H24N4O/c1-21-14-17(13-20-21)15-8-11-22(12-9-15)19(24)23-10-4-6-16-5-2-3-7-18(16)23/h2-3,5,7,13-15H,4,6,8-12H2,1H3
InChIKeyOULYTLMMUGPJHL-UHFFFAOYSA-N
XLogP3.17
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Metazachlor metabolite M6
CID 51071992
(4-(1H-pyrazol-4-yl)piperidin-1-yl)(3,4-dihydroquinolin-1(2H)-yl)methanone
CID 24896062
(3-(1H-pyrazol-4-yl)pyrrolidin-1-yl)(3,4-dihydroquinolin-1(2H)-yl)methanone
CID 54580343
(4-(1H-pyrazol-3-yl)piperidin-1-yl)(3,4-dihydroquinolin-1(2H)-yl)methanone
CID 54581343
[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]-spiro[2,3-dihydroquinoline-4,1'-cyclopropane]-1-ylmethanone
CID 54581344
(3-(1H-pyrazol-4-yl)pyrrolidin-1-yl)(4,4-dimethyl-3,4-dihydroquinolin-1(2H)-yl)methanone
CID 54587244
N-[2-(3-phenylpyrazol-1-yl)propyl]piperidine-1-carboxamide
CID 118514522
N-[1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 118514528
N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide
CID 118524339
1-(2-methylphenyl)-4-{1-[3-(3-methyl-1H-pyrazol-1-yl)propanoyl]-3-piperidinyl}piperazine
CID 45175316
N-methyl-1-[(1S,9aR)-octahydro-2H-quinolizin-1-yl]-N-[2-(1H-pyrazol-1-yl)benzyl]methanamine
CID 46986730
3,4-dihydro-2H-quinolin-1-yl-[(1R,5S)-3-(1H-pyrazol-5-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 54582370

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone (CID 54580341) is 3,4-dihydro-2H-quinolin-1-yl-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone is Cn1cc(C2CCN(C(=O)N3CCCc4ccccc43)CC2)cn1.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is OULYTLMMUGPJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-21-14-17(13-20-21)15-8-11-22(12-9-15)19(24)23-10-4-6-16-5-2-3-7-18(16)23/h2-3,5,7,13-15H,4,6,8-12H2,1H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 324.43 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 54580341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).