2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-quinolin-6-ylacetamide

C21H14N4O3 — CID 89031605

IUPAC2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-quinolin-6-ylacetamide
SMILESO=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1ccc2ncccc2c1
InChIInChI=1S/C21H14N4O3/c26-19(24-14-7-8-17-13(10-14)4-3-9-22-17)12-25-20-15-5-1-2-6-18(15)28-21(27)16(20)11-23-25/h1-11H,12H2,(H,24,26)
InChIKeyRDXPQFSQLXIACA-UHFFFAOYSA-N
MW370.37 g/mol
LogP3.33
Rot. Bonds3

About 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-quinolin-6-ylacetamide

2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-quinolin-6-ylacetamide (PubChem CID 89031605) has the molecular formula C21H14N4O3 and a molecular weight of 370.37 g/mol. Its IUPAC name is 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-quinolin-6-ylacetamide.

Molecular Properties

Compound Name2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-quinolin-6-ylacetamide
PubChem CID89031605
Molecular FormulaC21H14N4O3
Molecular Weight370.37 g/mol
Exact Mass370.11
IUPAC Name2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-quinolin-6-ylacetamide
SMILESO=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1ccc2ncccc2c1
InChIInChI=1S/C21H14N4O3/c26-19(24-14-7-8-17-13(10-14)4-3-9-22-17)12-25-20-15-5-1-2-6-18(15)28-21(27)16(20)11-23-25/h1-11H,12H2,(H,24,26)
InChIKeyRDXPQFSQLXIACA-UHFFFAOYSA-N
XLogP3.33
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 5309260
1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]chromeno[4,3-c]pyrazol-4(1H)-one
CID 3243491
N-{2-[4-(2-Fluorophenyl)piperazin-1-YL]ethyl}-2-{4-oxo-1H,4H-chromeno[4,3-C]pyrazol-1-YL}acetamide
CID 5309292
1-[2-[4-(3-Methoxyphenyl)piperazin-1-yl]-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one
CID 16009565
N-naphthalen-2-yl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 89031601
N-(4-fluorophenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 3473530
2-Phenylchromeno[4,3-c]pyrazol-4-one
CID 3856570
N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-{4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide
CID 5307131
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one
CID 5308712
8-Methyl-1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-YL)ethyl]-1H,4H-chromeno[4,3-C]pyrazol-4-one
CID 5308715
N-(1-benzylpiperidin-4-yl)-2-(8-methyl-4-oxochromeno[4,3-c]pyrazol-1-yl)acetamide
CID 5309399
N-(3-methoxypropyl)-2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}-N-[1-(pyridin-4-yl)ethyl]acetamide
CID 5309572

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-quinolin-6-ylacetamide?
The IUPAC name of 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-quinolin-6-ylacetamide (CID 89031605) is 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-quinolin-6-ylacetamide.
What is the SMILES notation for 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-quinolin-6-ylacetamide?
The canonical SMILES for 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-quinolin-6-ylacetamide is O=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1ccc2ncccc2c1.
What is the InChIKey of 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-quinolin-6-ylacetamide?
The InChIKey is RDXPQFSQLXIACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O3/c26-19(24-14-7-8-17-13(10-14)4-3-9-22-17)12-25-20-15-5-1-2-6-18(15)28-21(27)16(20)11-23-25/h1-11H,12H2,(H,24,26).
What are the key properties of 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-quinolin-6-ylacetamide?
2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-quinolin-6-ylacetamide has a molecular weight of 370.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-quinolin-6-ylacetamide is sourced from PubChem (CID 89031605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).