(1-anilino-1-oxopropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate

C19H16N2O4 — CID 16529843

IUPAC(1-anilino-1-oxopropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate
SMILESCC(OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccccc1
InChIInChI=1S/C19H16N2O4/c1-12(18(23)20-13-7-3-2-4-8-13)25-19(24)15-11-17(22)21-16-10-6-5-9-14(15)16/h2-12H,1H3,(H,20,23)(H,21,22)
InChIKeyIMEJFZKUYCNQIB-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.71
Rot. Bonds4

About (1-anilino-1-oxopropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate

(1-anilino-1-oxopropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 16529843) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is (1-anilino-1-oxopropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name(1-anilino-1-oxopropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate
PubChem CID16529843
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name(1-anilino-1-oxopropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate
SMILESCC(OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccccc1
InChIInChI=1S/C19H16N2O4/c1-12(18(23)20-13-7-3-2-4-8-13)25-19(24)15-11-17(22)21-16-10-6-5-9-14(15)16/h2-12H,1H3,(H,20,23)(H,21,22)
InChIKeyIMEJFZKUYCNQIB-UHFFFAOYSA-N
XLogP2.71
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 42901295
[1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 42888803
[1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 42901293
[1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 71943605
[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 16529889
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 16529856
[1-(benzylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 17409936
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 16529842
[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 7374502
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 7761837
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 25161919
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 2631331

Frequently Asked Questions

What is the IUPAC name of (1-anilino-1-oxopropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of (1-anilino-1-oxopropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate (CID 16529843) is (1-anilino-1-oxopropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for (1-anilino-1-oxopropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for (1-anilino-1-oxopropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate is CC(OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccccc1.
What is the InChIKey of (1-anilino-1-oxopropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is IMEJFZKUYCNQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-12(18(23)20-13-7-3-2-4-8-13)25-19(24)15-11-17(22)21-16-10-6-5-9-14(15)16/h2-12H,1H3,(H,20,23)(H,21,22).
What are the key properties of (1-anilino-1-oxopropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate?
(1-anilino-1-oxopropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 336.35 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-anilino-1-oxopropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 16529843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).