[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate

C19H14Cl2N2O4 — CID 7504312

IUPAC[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
SMILESC[C@@H](OC(=O)c1cc(=O)c2ccccc2[nH]1)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H14Cl2N2O4/c1-10(18(25)22-13-7-11(20)6-12(21)8-13)27-19(26)16-9-17(24)14-4-2-3-5-15(14)23-16/h2-10H,1H3,(H,22,25)(H,23,24)/t10-/m1/s1
InChIKeyLOGAVIWNTVQDIX-SNVBAGLBSA-N
MW405.24 g/mol
LogP4.02
Rot. Bonds4

About [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate

[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate (PubChem CID 7504312) has the molecular formula C19H14Cl2N2O4 and a molecular weight of 405.24 g/mol. Its IUPAC name is [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
PubChem CID7504312
Molecular FormulaC19H14Cl2N2O4
Molecular Weight405.24 g/mol
Exact Mass404.03
IUPAC Name[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
SMILESC[C@@H](OC(=O)c1cc(=O)c2ccccc2[nH]1)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H14Cl2N2O4/c1-10(18(25)22-13-7-11(20)6-12(21)8-13)27-19(26)16-9-17(24)14-4-2-3-5-15(14)23-16/h2-10H,1H3,(H,22,25)(H,23,24)/t10-/m1/s1
InChIKeyLOGAVIWNTVQDIX-SNVBAGLBSA-N
XLogP4.02
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.24
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507129
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504474
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504448
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504524
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507662
(1-anilino-1-oxopropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate
CID 16529843
[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-[(R)-methylsulfinyl]benzoate
CID 11926892
[(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504500
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 25161919
[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-[(S)-ethylsulfinyl]benzoate
CID 11908147
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 1H-indole-2-carboxylate
CID 42886016
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 2631331

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate?
The IUPAC name of [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate (CID 7504312) is [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate.
What is the SMILES notation for [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate?
The canonical SMILES for [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate is C[C@@H](OC(=O)c1cc(=O)c2ccccc2[nH]1)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate?
The InChIKey is LOGAVIWNTVQDIX-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H14Cl2N2O4/c1-10(18(25)22-13-7-11(20)6-12(21)8-13)27-19(26)16-9-17(24)14-4-2-3-5-15(14)23-16/h2-10H,1H3,(H,22,25)(H,23,24)/t10-/m1/s1.
What are the key properties of [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate?
[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate has a molecular weight of 405.24 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate is sourced from PubChem (CID 7504312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).