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

C15H16N2O5 — CID 7507078

IUPAC[2-(2-methoxyethylamino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
SMILESCOCCNC(=O)COC(=O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C15H16N2O5/c1-21-7-6-16-14(19)9-22-15(20)12-8-13(18)10-4-2-3-5-11(10)17-12/h2-5,8H,6-7,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyBUTUJTUKPNEBFD-UHFFFAOYSA-N
MW304.30 g/mol
LogP0.45
Rot. Bonds6

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

[2-(2-methoxyethylamino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate (PubChem CID 7507078) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
PubChem CID7507078
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name[2-(2-methoxyethylamino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
SMILESCOCCNC(=O)COC(=O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C15H16N2O5/c1-21-7-6-16-14(19)9-22-15(20)12-8-13(18)10-4-2-3-5-11(10)17-12/h2-5,8H,6-7,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyBUTUJTUKPNEBFD-UHFFFAOYSA-N
XLogP0.45
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504407
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507750
[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-(2-carbamoylanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507048
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504252
[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
2-[2-[(4-oxo-1H-quinoline-2-carbonyl)amino]ethoxy]acetic acid
CID 79469166
prop-2-enyl 4-oxo-1H-quinoline-2-carboxylate
CID 67639122
N-ethyl-4-oxo-1H-quinoline-2-carboxamide
CID 47115379
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960167

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate?
The IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate (CID 7507078) is [2-(2-methoxyethylamino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate.
What is the SMILES notation for [2-(2-methoxyethylamino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate?
The canonical SMILES for [2-(2-methoxyethylamino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate is COCCNC(=O)COC(=O)c1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of [2-(2-methoxyethylamino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate?
The InChIKey is BUTUJTUKPNEBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-21-7-6-16-14(19)9-22-15(20)12-8-13(18)10-4-2-3-5-11(10)17-12/h2-5,8H,6-7,9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of [2-(2-methoxyethylamino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate?
[2-(2-methoxyethylamino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate has a molecular weight of 304.30 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylamino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate is sourced from PubChem (CID 7507078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).