[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-oxo-1H-quinoline-2-carboxylate

C22H20N2O4 — CID 7504364

IUPAC[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-oxo-1H-quinoline-2-carboxylate
SMILESO=C(COC(=O)c1cc(=O)c2ccccc2[nH]1)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C22H20N2O4/c25-20-12-19(23-18-10-4-3-9-16(18)20)22(27)28-13-21(26)24-17-11-5-7-14-6-1-2-8-15(14)17/h1-4,6,8-10,12,17H,5,7,11,13H2,(H,23,25)(H,24,26)/t17-/m1/s1
InChIKeyCHJSSEVJYCLPAA-QGZVFWFLSA-N
MW376.41 g/mol
LogP2.88
Rot. Bonds4

About [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-oxo-1H-quinoline-2-carboxylate

[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-oxo-1H-quinoline-2-carboxylate (PubChem CID 7504364) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-oxo-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-oxo-1H-quinoline-2-carboxylate
PubChem CID7504364
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-oxo-1H-quinoline-2-carboxylate
SMILESO=C(COC(=O)c1cc(=O)c2ccccc2[nH]1)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C22H20N2O4/c25-20-12-19(23-18-10-4-3-9-16(18)20)22(27)28-13-21(26)24-17-11-5-7-14-6-1-2-8-15(14)17/h1-4,6,8-10,12,17H,5,7,11,13H2,(H,23,25)(H,24,26)/t17-/m1/s1
InChIKeyCHJSSEVJYCLPAA-QGZVFWFLSA-N
XLogP2.88
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-oxo-1H-quinoline-2-carboxylate with MolForge

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Related Compounds

[(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504500
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 4027040
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 4-chloro-1H-pyrrole-2-carboxylate
CID 18122882
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-hydroxybenzoate
CID 2365675
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] naphthalene-2-carboxylate
CID 16521508
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3,4,5-trihydroxybenzoate
CID 2424708
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-aminobenzoate
CID 7780986
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2,6-difluorobenzoate
CID 6599915
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7891387
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-bromobenzoate
CID 2363460
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-ethylbenzoate
CID 2606918
cis-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 8019669

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-oxo-1H-quinoline-2-carboxylate?
The IUPAC name of [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-oxo-1H-quinoline-2-carboxylate (CID 7504364) is [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-oxo-1H-quinoline-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-oxo-1H-quinoline-2-carboxylate?
The canonical SMILES for [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-oxo-1H-quinoline-2-carboxylate is O=C(COC(=O)c1cc(=O)c2ccccc2[nH]1)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-oxo-1H-quinoline-2-carboxylate?
The InChIKey is CHJSSEVJYCLPAA-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H20N2O4/c25-20-12-19(23-18-10-4-3-9-16(18)20)22(27)28-13-21(26)24-17-11-5-7-14-6-1-2-8-15(14)17/h1-4,6,8-10,12,17H,5,7,11,13H2,(H,23,25)(H,24,26)/t17-/m1/s1.
What are the key properties of [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-oxo-1H-quinoline-2-carboxylate?
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-oxo-1H-quinoline-2-carboxylate has a molecular weight of 376.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-oxo-1H-quinoline-2-carboxylate is sourced from PubChem (CID 7504364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).