[2-(2-carbamoylanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate

C19H15N3O5 — CID 7507048

IUPAC[2-(2-carbamoylanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
SMILESNC(=O)c1ccccc1NC(=O)COC(=O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C19H15N3O5/c20-18(25)12-6-2-4-8-14(12)22-17(24)10-27-19(26)15-9-16(23)11-5-1-3-7-13(11)21-15/h1-9H,10H2,(H2,20,25)(H,21,23)(H,22,24)
InChIKeyLGGNIMMYYIQTPA-UHFFFAOYSA-N
MW365.35 g/mol
LogP1.42
Rot. Bonds5

About [2-(2-carbamoylanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate

[2-(2-carbamoylanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate (PubChem CID 7507048) has the molecular formula C19H15N3O5 and a molecular weight of 365.35 g/mol. Its IUPAC name is [2-(2-carbamoylanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Name[2-(2-carbamoylanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
PubChem CID7507048
Molecular FormulaC19H15N3O5
Molecular Weight365.35 g/mol
Exact Mass365.10
IUPAC Name[2-(2-carbamoylanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
SMILESNC(=O)c1ccccc1NC(=O)COC(=O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C19H15N3O5/c20-18(25)12-6-2-4-8-14(12)22-17(24)10-27-19(26)15-9-16(23)11-5-1-3-7-13(11)21-15/h1-9H,10H2,(H2,20,25)(H,21,23)(H,22,24)
InChIKeyLGGNIMMYYIQTPA-UHFFFAOYSA-N
XLogP1.42
TPSA131.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504222
[2-(2-fluoroanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504276
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504252
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504284
[2-(2-methoxyethylamino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507078
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 1H-indole-2-carboxylate
CID 7723034
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507750
[2-(2-carbamoylanilino)-2-oxoethyl] 2-hydroxybenzoate
CID 7890744
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504407
prop-2-enyl 4-oxo-1H-quinoline-2-carboxylate
CID 67639122
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507105
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7508192

Frequently Asked Questions

What is the IUPAC name of [2-(2-carbamoylanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate?
The IUPAC name of [2-(2-carbamoylanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate (CID 7507048) is [2-(2-carbamoylanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate.
What is the SMILES notation for [2-(2-carbamoylanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate?
The canonical SMILES for [2-(2-carbamoylanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate is NC(=O)c1ccccc1NC(=O)COC(=O)c1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of [2-(2-carbamoylanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate?
The InChIKey is LGGNIMMYYIQTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O5/c20-18(25)12-6-2-4-8-14(12)22-17(24)10-27-19(26)15-9-16(23)11-5-1-3-7-13(11)21-15/h1-9H,10H2,(H2,20,25)(H,21,23)(H,22,24).
What are the key properties of [2-(2-carbamoylanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate?
[2-(2-carbamoylanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate has a molecular weight of 365.35 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-carbamoylanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate is sourced from PubChem (CID 7507048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).