(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1H-pyrazole-5-carboxylate

C13H11N3O3 — CID 99823234

IUPAC(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1H-pyrazole-5-carboxylate
SMILESO=C1CCc2ccc(OC(=O)c3ccn[nH]3)cc2N1
InChIInChI=1S/C13H11N3O3/c17-12-4-2-8-1-3-9(7-11(8)15-12)19-13(18)10-5-6-14-16-10/h1,3,5-7H,2,4H2,(H,14,16)(H,15,17)
InChIKeyXSWMPDNRBXGRIM-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.51
Rot. Bonds2

About (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1H-pyrazole-5-carboxylate

(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1H-pyrazole-5-carboxylate (PubChem CID 99823234) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Name(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1H-pyrazole-5-carboxylate
PubChem CID99823234
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1H-pyrazole-5-carboxylate
SMILESO=C1CCc2ccc(OC(=O)c3ccn[nH]3)cc2N1
InChIInChI=1S/C13H11N3O3/c17-12-4-2-8-1-3-9(7-11(8)15-12)19-13(18)10-5-6-14-16-10/h1,3,5-7H,2,4H2,(H,14,16)(H,15,17)
InChIKeyXSWMPDNRBXGRIM-UHFFFAOYSA-N
XLogP1.51
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 2,5-dimethyl-1,3-thiazole-4-carboxylate
CID 154753906
(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 2-ethyl-1,3-thiazole-5-carboxylate
CID 99823244
7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 112704281
2-fluoro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]acetic acid
CID 114939875
(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1-methyl-5-pyrrol-1-ylpyrazole-4-carboxylate
CID 99823242
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-cyanobenzoate
CID 18288037
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3,4-dimethoxybenzoate
CID 51329778
7-(2-pyridin-4-ylethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940079
methyl (Z)-2-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]but-2-enoate
CID 114939880
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(dimethylsulfamoyl)benzoate
CID 18226763
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(difluoromethylsulfonyl)benzoate
CID 18270386
7-cycloheptyloxy-3,4-dihydro-1H-quinolin-2-one
CID 114940056

Frequently Asked Questions

What is the IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1H-pyrazole-5-carboxylate?
The IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1H-pyrazole-5-carboxylate (CID 99823234) is (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1H-pyrazole-5-carboxylate.
What is the SMILES notation for (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1H-pyrazole-5-carboxylate?
The canonical SMILES for (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1H-pyrazole-5-carboxylate is O=C1CCc2ccc(OC(=O)c3ccn[nH]3)cc2N1.
What is the InChIKey of (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1H-pyrazole-5-carboxylate?
The InChIKey is XSWMPDNRBXGRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c17-12-4-2-8-1-3-9(7-11(8)15-12)19-13(18)10-5-6-14-16-10/h1,3,5-7H,2,4H2,(H,14,16)(H,15,17).
What are the key properties of (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1H-pyrazole-5-carboxylate?
(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1H-pyrazole-5-carboxylate has a molecular weight of 257.25 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1H-pyrazole-5-carboxylate is sourced from PubChem (CID 99823234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).