2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-3-ylethanone

C15H14N4O — CID 116604826

IUPAC2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-3-ylethanone
SMILESCn1cc(C(N)C(=O)c2cnc3ccccc3c2)cn1
InChIInChI=1S/C15H14N4O/c1-19-9-12(8-18-19)14(16)15(20)11-6-10-4-2-3-5-13(10)17-7-11/h2-9,14H,16H2,1H3
InChIKeySAUNYOPAALGCSV-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.85
Rot. Bonds3

About 2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-3-ylethanone

2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-3-ylethanone (PubChem CID 116604826) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-3-ylethanone.

Molecular Properties

Compound Name2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-3-ylethanone
PubChem CID116604826
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-3-ylethanone
SMILESCn1cc(C(N)C(=O)c2cnc3ccccc3c2)cn1
InChIInChI=1S/C15H14N4O/c1-19-9-12(8-18-19)14(16)15(20)11-6-10-4-2-3-5-13(10)17-7-11/h2-9,14H,16H2,1H3
InChIKeySAUNYOPAALGCSV-UHFFFAOYSA-N
XLogP1.85
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(1-methylpyrazol-4-yl)-N-quinolin-3-ylacetamide
CID 115289913
2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-6-ylethanone
CID 116604933
2-amino-1-(3-methylphenyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116604908
2-amino-1-(1-methylpyrazol-4-yl)-2-phenylethanone
CID 116551131
2-amino-1-(4-tert-butylphenyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116605016
(1-oxo-1-quinolin-3-ylpropan-2-yl) carbamate
CID 123444610
(1-methyltriazol-4-yl)-quinolin-3-ylmethanone
CID 112735750
1-amino-1-(1-methylpyrazol-4-yl)-3-naphthalen-1-ylpropan-2-one
CID 116604835
2-amino-1-(1-benzothiophen-7-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116604897
2-amino-1-(4-cyclopropyloxyphenyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 114520707
quinoline-3-carboxamide;hydrofluoride
CID 174911514
2-amino-2-phenyl-N-quinolin-3-ylacetamide
CID 43704715

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-3-ylethanone?
The IUPAC name of 2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-3-ylethanone (CID 116604826) is 2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-3-ylethanone.
What is the SMILES notation for 2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-3-ylethanone?
The canonical SMILES for 2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-3-ylethanone is Cn1cc(C(N)C(=O)c2cnc3ccccc3c2)cn1.
What is the InChIKey of 2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-3-ylethanone?
The InChIKey is SAUNYOPAALGCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-19-9-12(8-18-19)14(16)15(20)11-6-10-4-2-3-5-13(10)17-7-11/h2-9,14H,16H2,1H3.
What are the key properties of 2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-3-ylethanone?
2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-3-ylethanone has a molecular weight of 266.30 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-3-ylethanone is sourced from PubChem (CID 116604826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).