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

C23H22N2O4 — CID 7504500

IUPAC[(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
SMILESC[C@@H](OC(=O)c1cc(=O)c2ccccc2[nH]1)C(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C23H22N2O4/c1-14(22(27)25-18-12-6-8-15-7-2-3-9-16(15)18)29-23(28)20-13-21(26)17-10-4-5-11-19(17)24-20/h2-5,7,9-11,13-14,18H,6,8,12H2,1H3,(H,24,26)(H,25,27)/t14-,18-/m1/s1
InChIKeyHGOFYGMSJDWXLB-RDTXWAMCSA-N
MW390.44 g/mol
LogP3.27
Rot. Bonds4

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

[(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 4-oxo-1H-quinoline-2-carboxylate (PubChem CID 7504500) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is [(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 4-oxo-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
PubChem CID7504500
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name[(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
SMILESC[C@@H](OC(=O)c1cc(=O)c2ccccc2[nH]1)C(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C23H22N2O4/c1-14(22(27)25-18-12-6-8-15-7-2-3-9-16(15)18)29-23(28)20-13-21(26)17-10-4-5-11-19(17)24-20/h2-5,7,9-11,13-14,18H,6,8,12H2,1H3,(H,24,26)(H,25,27)/t14-,18-/m1/s1
InChIKeyHGOFYGMSJDWXLB-RDTXWAMCSA-N
XLogP3.27
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504524
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507129
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504364
[(2S)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 3,5-dichlorobenzoate
CID 7724282
[(2R)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 2-chlorobenzoate
CID 7477050
[(2S)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 4-hydroxybenzoate
CID 7777208
[(2R)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 3,5-dimethoxybenzoate
CID 7727228
[(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] quinoxaline-6-carboxylate
CID 7677000
[(2S)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 4-bromobenzoate
CID 7478045
[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 16509829
[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 3-fluorobenzoate
CID 16524078
[(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 3-methylfuran-2-carboxylate
CID 27118370

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 4-oxo-1H-quinoline-2-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 4-oxo-1H-quinoline-2-carboxylate (CID 7504500) is [(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 4-oxo-1H-quinoline-2-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 4-oxo-1H-quinoline-2-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 4-oxo-1H-quinoline-2-carboxylate is C[C@@H](OC(=O)c1cc(=O)c2ccccc2[nH]1)C(=O)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of [(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 4-oxo-1H-quinoline-2-carboxylate?
The InChIKey is HGOFYGMSJDWXLB-RDTXWAMCSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-14(22(27)25-18-12-6-8-15-7-2-3-9-16(15)18)29-23(28)20-13-21(26)17-10-4-5-11-19(17)24-20/h2-5,7,9-11,13-14,18H,6,8,12H2,1H3,(H,24,26)(H,25,27)/t14-,18-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 4-oxo-1H-quinoline-2-carboxylate?
[(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 4-oxo-1H-quinoline-2-carboxylate has a molecular weight of 390.44 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 4-oxo-1H-quinoline-2-carboxylate is sourced from PubChem (CID 7504500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).