[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 7-fluoro-2-methylquinoline-3-carboxylate

C20H18FN3O5S — CID 42927586

IUPAC[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 7-fluoro-2-methylquinoline-3-carboxylate
SMILESCc1nc2cc(F)ccc2cc1C(=O)OC(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H18FN3O5S/c1-11-17(9-13-3-4-14(21)10-18(13)23-11)20(26)29-12(2)19(25)24-15-5-7-16(8-6-15)30(22,27)28/h3-10,12H,1-2H3,(H,24,25)(H2,22,27,28)
InChIKeyGJTJKMSTFTXYRZ-UHFFFAOYSA-N
MW431.45 g/mol
LogP2.51
Rot. Bonds5

About [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 7-fluoro-2-methylquinoline-3-carboxylate

[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 7-fluoro-2-methylquinoline-3-carboxylate (PubChem CID 42927586) has the molecular formula C20H18FN3O5S and a molecular weight of 431.45 g/mol. Its IUPAC name is [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 7-fluoro-2-methylquinoline-3-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 7-fluoro-2-methylquinoline-3-carboxylate
PubChem CID42927586
Molecular FormulaC20H18FN3O5S
Molecular Weight431.45 g/mol
Exact Mass431.10
IUPAC Name[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 7-fluoro-2-methylquinoline-3-carboxylate
SMILESCc1nc2cc(F)ccc2cc1C(=O)OC(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H18FN3O5S/c1-11-17(9-13-3-4-14(21)10-18(13)23-11)20(26)29-12(2)19(25)24-15-5-7-16(8-6-15)30(22,27)28/h3-10,12H,1-2H3,(H,24,25)(H2,22,27,28)
InChIKeyGJTJKMSTFTXYRZ-UHFFFAOYSA-N
XLogP2.51
TPSA128.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 7-fluoro-2-methylquinoline-3-carboxylate with MolForge

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Related Compounds

[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-hydroxy-5-methylbenzoate
CID 16512111
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2,4-dimethylbenzoate
CID 7796078
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2,5-dimethylfuran-3-carboxylate
CID 2638307
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-fluoro-4-methoxybenzoate
CID 8509329
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-bromobenzoate
CID 16539796
[(2S)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] 2-fluoro-5-sulfamoylbenzoate
CID 8942944
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 8511328
[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-fluoro-5-sulfamoylbenzoate
CID 8942966
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-(4-fluorophenoxy)propanoate
CID 42902776
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] pyridine-4-carboxylate
CID 7783819
[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-chloro-5-sulfamoylbenzoate
CID 8942718
[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-chloro-5-sulfamoylbenzoate
CID 8942720

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 7-fluoro-2-methylquinoline-3-carboxylate?
The IUPAC name of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 7-fluoro-2-methylquinoline-3-carboxylate (CID 42927586) is [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 7-fluoro-2-methylquinoline-3-carboxylate.
What is the SMILES notation for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 7-fluoro-2-methylquinoline-3-carboxylate?
The canonical SMILES for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 7-fluoro-2-methylquinoline-3-carboxylate is Cc1nc2cc(F)ccc2cc1C(=O)OC(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 7-fluoro-2-methylquinoline-3-carboxylate?
The InChIKey is GJTJKMSTFTXYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O5S/c1-11-17(9-13-3-4-14(21)10-18(13)23-11)20(26)29-12(2)19(25)24-15-5-7-16(8-6-15)30(22,27)28/h3-10,12H,1-2H3,(H,24,25)(H2,22,27,28).
What are the key properties of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 7-fluoro-2-methylquinoline-3-carboxylate?
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 7-fluoro-2-methylquinoline-3-carboxylate has a molecular weight of 431.45 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 7-fluoro-2-methylquinoline-3-carboxylate is sourced from PubChem (CID 42927586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).