[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate

C20H18N2O4 — CID 7504448

IUPAC[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
SMILESC[C@@H](OC(=O)c1cc(=O)c2ccccc2[nH]1)C(=O)NCc1ccccc1
InChIInChI=1S/C20H18N2O4/c1-13(19(24)21-12-14-7-3-2-4-8-14)26-20(25)17-11-18(23)15-9-5-6-10-16(15)22-17/h2-11,13H,12H2,1H3,(H,21,24)(H,22,23)/t13-/m1/s1
InChIKeyIICRKFLGSSWIOX-CYBMUJFWSA-N
MW350.37 g/mol
LogP2.39
Rot. Bonds5

About [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate

[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate (PubChem CID 7504448) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
PubChem CID7504448
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
SMILESC[C@@H](OC(=O)c1cc(=O)c2ccccc2[nH]1)C(=O)NCc1ccccc1
InChIInChI=1S/C20H18N2O4/c1-13(19(24)21-12-14-7-3-2-4-8-14)26-20(25)17-11-18(23)15-9-5-6-10-16(15)22-17/h2-11,13H,12H2,1H3,(H,21,24)(H,22,23)/t13-/m1/s1
InChIKeyIICRKFLGSSWIOX-CYBMUJFWSA-N
XLogP2.39
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(benzylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 17409936
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504524
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1H-indole-2-carboxylate
CID 7466085
[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504312
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507662
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] anthracene-9-carboxylate
CID 7786528
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 8789505
[(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504500
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504474
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 8013279
[1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-bromo-1H-indole-2-carboxylate
CID 46459815
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504407

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate?
The IUPAC name of [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate (CID 7504448) is [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate.
What is the SMILES notation for [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate?
The canonical SMILES for [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate is C[C@@H](OC(=O)c1cc(=O)c2ccccc2[nH]1)C(=O)NCc1ccccc1.
What is the InChIKey of [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate?
The InChIKey is IICRKFLGSSWIOX-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-13(19(24)21-12-14-7-3-2-4-8-14)26-20(25)17-11-18(23)15-9-5-6-10-16(15)22-17/h2-11,13H,12H2,1H3,(H,21,24)(H,22,23)/t13-/m1/s1.
What are the key properties of [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate?
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate is sourced from PubChem (CID 7504448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).