2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-6-ylethanone

C15H14N4O — CID 116604933

IUPAC2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-6-ylethanone
SMILESCn1cc(C(N)C(=O)c2ccc3ncccc3c2)cn1
InChIInChI=1S/C15H14N4O/c1-19-9-12(8-18-19)14(16)15(20)11-4-5-13-10(7-11)3-2-6-17-13/h2-9,14H,16H2,1H3
InChIKeyLTGJGVPHODQVRN-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.85
Rot. Bonds3

About 2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-6-ylethanone

2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-6-ylethanone (PubChem CID 116604933) 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-6-ylethanone.

Molecular Properties

Compound Name2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-6-ylethanone
PubChem CID116604933
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-6-ylethanone
SMILESCn1cc(C(N)C(=O)c2ccc3ncccc3c2)cn1
InChIInChI=1S/C15H14N4O/c1-19-9-12(8-18-19)14(16)15(20)11-4-5-13-10(7-11)3-2-6-17-13/h2-9,14H,16H2,1H3
InChIKeyLTGJGVPHODQVRN-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)-1-quinolin-3-ylethanone
CID 116604826
2-amino-1-(3-methylphenyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116604908
2-amino-2-(1-methylpyrazol-4-yl)-N-quinolin-3-ylacetamide
CID 115289913
2-amino-1-(4-tert-butylphenyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116605016
2,2-dimethoxy-1-quinolin-6-ylethanone
CID 81221029
2-amino-1-(4-cyclopropyloxyphenyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 114520707
2-amino-1-(1-methylpyrazol-4-yl)-2-phenylethanone
CID 116551131
ethane;quinoline-6-carboxylic acid
CID 91364452
2-amino-1-(1-benzothiophen-7-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116604897
2-amino-N-ethyl-2-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 115290980
2-amino-2-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 115289633
pyridin-3-yl(quinolin-6-yl)methanone
CID 63097549

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-6-ylethanone?
The IUPAC name of 2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-6-ylethanone (CID 116604933) is 2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-6-ylethanone.
What is the SMILES notation for 2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-6-ylethanone?
The canonical SMILES for 2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-6-ylethanone is Cn1cc(C(N)C(=O)c2ccc3ncccc3c2)cn1.
What is the InChIKey of 2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-6-ylethanone?
The InChIKey is LTGJGVPHODQVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-19-9-12(8-18-19)14(16)15(20)11-4-5-13-10(7-11)3-2-6-17-13/h2-9,14H,16H2,1H3.
What are the key properties of 2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-6-ylethanone?
2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-6-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-6-ylethanone is sourced from PubChem (CID 116604933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).