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

C18H16N4O3 — CID 99823242

IUPAC(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1-methyl-5-pyrrol-1-ylpyrazole-4-carboxylate
SMILESCn1ncc(C(=O)Oc2ccc3c(c2)NC(=O)CC3)c1-n1cccc1
InChIInChI=1S/C18H16N4O3/c1-21-17(22-8-2-3-9-22)14(11-19-21)18(24)25-13-6-4-12-5-7-16(23)20-15(12)10-13/h2-4,6,8-11H,5,7H2,1H3,(H,20,23)
InChIKeyYKNYAOXIPBWLNZ-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.31
Rot. Bonds3

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

(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1-methyl-5-pyrrol-1-ylpyrazole-4-carboxylate (PubChem CID 99823242) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1-methyl-5-pyrrol-1-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Name(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1-methyl-5-pyrrol-1-ylpyrazole-4-carboxylate
PubChem CID99823242
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1-methyl-5-pyrrol-1-ylpyrazole-4-carboxylate
SMILESCn1ncc(C(=O)Oc2ccc3c(c2)NC(=O)CC3)c1-n1cccc1
InChIInChI=1S/C18H16N4O3/c1-21-17(22-8-2-3-9-22)14(11-19-21)18(24)25-13-6-4-12-5-7-16(23)20-15(12)10-13/h2-4,6,8-11H,5,7H2,1H3,(H,20,23)
InChIKeyYKNYAOXIPBWLNZ-UHFFFAOYSA-N
XLogP2.31
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1-methyl-5-pyrrol-1-ylpyrazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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) 1H-pyrazole-5-carboxylate
CID 99823234
(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
7-[2-(2-oxo-1-pyridinyl)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940102
2-fluoro-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]acetic acid
CID 114939875
7-[(1-ethylpyrazol-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940155
(2-oxo-3,4-dihydro-1H-quinolin-7-yl) benzenesulfonate
CID 131868830
6-(1-methylindazol-5-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 166453232
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-(4-methylpiperazin-1-yl)sulfonylbenzoate
CID 55535426
N-(3-methoxyphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 2809038
N-(3-methylbutan-2-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]acetamide
CID 114940002

Frequently Asked Questions

What is the IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1-methyl-5-pyrrol-1-ylpyrazole-4-carboxylate?
The IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1-methyl-5-pyrrol-1-ylpyrazole-4-carboxylate (CID 99823242) is (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1-methyl-5-pyrrol-1-ylpyrazole-4-carboxylate.
What is the SMILES notation for (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1-methyl-5-pyrrol-1-ylpyrazole-4-carboxylate?
The canonical SMILES for (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1-methyl-5-pyrrol-1-ylpyrazole-4-carboxylate is Cn1ncc(C(=O)Oc2ccc3c(c2)NC(=O)CC3)c1-n1cccc1.
What is the InChIKey of (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1-methyl-5-pyrrol-1-ylpyrazole-4-carboxylate?
The InChIKey is YKNYAOXIPBWLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-21-17(22-8-2-3-9-22)14(11-19-21)18(24)25-13-6-4-12-5-7-16(23)20-15(12)10-13/h2-4,6,8-11H,5,7H2,1H3,(H,20,23).
What are the key properties of (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1-methyl-5-pyrrol-1-ylpyrazole-4-carboxylate?
(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1-methyl-5-pyrrol-1-ylpyrazole-4-carboxylate has a molecular weight of 336.35 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 1-methyl-5-pyrrol-1-ylpyrazole-4-carboxylate is sourced from PubChem (CID 99823242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).