3,4-dihydro-2H-quinolin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone

C16H19N3O — CID 110682720

IUPAC3,4-dihydro-2H-quinolin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C16H19N3O/c1-11-15(12(2)18(3)17-11)16(20)19-10-6-8-13-7-4-5-9-14(13)19/h4-5,7,9H,6,8,10H2,1-3H3
InChIKeyIRKMCIUMPLGLOM-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.63
Rot. Bonds1

About 3,4-dihydro-2H-quinolin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone

3,4-dihydro-2H-quinolin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 110682720) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID110682720
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C16H19N3O/c1-11-15(12(2)18(3)17-11)16(20)19-10-6-8-13-7-4-5-9-14(13)19/h4-5,7,9H,6,8,10H2,1-3H3
InChIKeyIRKMCIUMPLGLOM-UHFFFAOYSA-N
XLogP2.63
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-1,3-dimethylpyrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 66121435
3,4-dihydro-2H-quinolin-1-yl-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 43582708
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
CID 19579066
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-3-carboxylic acid
CID 117218335
3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone
CID 5061013
(4-amino-1,3-dimethylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone
CID 66120055
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3,6-dimethylfuro[2,3-d]pyrimidin-4-one
CID 20925098
3,4-dihydro-2H-quinolin-1-yl-(1-methylpyrrol-3-yl)methanone
CID 110762715
2,5,6-trimethyl-4-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-one
CID 146085512
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone
CID 47097545
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 110682720) is 3,4-dihydro-2H-quinolin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone is Cc1nn(C)c(C)c1C(=O)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is IRKMCIUMPLGLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-15(12(2)18(3)17-11)16(20)19-10-6-8-13-7-4-5-9-14(13)19/h4-5,7,9H,6,8,10H2,1-3H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 269.35 g/mol, XLogP of 2.63, 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-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 110682720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).