actinium;[(5S)-3-[3-fluoro-4-(quinolin-3-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide

C20H16AcFN4O3- — CID 59043598

IUPACactinium;[(5S)-3-[3-fluoro-4-(quinolin-3-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
SMILES[Ac].[NH-]C[C@H]1CN(c2ccc(C(=O)Nc3cnc4ccccc4c3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H16FN4O3.Ac/c21-17-8-14(25-11-15(9-22)28-20(25)27)5-6-16(17)19(26)24-13-7-12-3-1-2-4-18(12)23-10-13;/h1-8,10,15,22H,9,11H2,(H,24,26);/q-1;/t15-;/m0./s1
InChIKeyZGIGZYNYXYIMEX-RSAXXLAASA-N
MW606.37 g/mol
LogP4.00
Rot. Bonds4

About actinium;[(5S)-3-[3-fluoro-4-(quinolin-3-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide

actinium;[(5S)-3-[3-fluoro-4-(quinolin-3-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide (PubChem CID 59043598) has the molecular formula C20H16AcFN4O3- and a molecular weight of 606.37 g/mol. Its IUPAC name is actinium;[(5S)-3-[3-fluoro-4-(quinolin-3-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide.

Molecular Properties

Compound Nameactinium;[(5S)-3-[3-fluoro-4-(quinolin-3-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
PubChem CID59043598
Molecular FormulaC20H16AcFN4O3-
Molecular Weight606.37 g/mol
Exact Mass606.15
IUPAC Nameactinium;[(5S)-3-[3-fluoro-4-(quinolin-3-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
SMILES[Ac].[NH-]C[C@H]1CN(c2ccc(C(=O)Nc3cnc4ccccc4c3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H16FN4O3.Ac/c21-17-8-14(25-11-15(9-22)28-20(25)27)5-6-16(17)19(26)24-13-7-12-3-1-2-4-18(12)23-10-13;/h1-8,10,15,22H,9,11H2,(H,24,26);/q-1;/t15-;/m0./s1
InChIKeyZGIGZYNYXYIMEX-RSAXXLAASA-N
XLogP4.00
TPSA95.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

actinium;[(5S)-3-[3-fluoro-4-(pyridin-3-ylmethoxycarbonyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
CID 59043575
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide
CID 59043586
2-fluoro-4-[(5S)-2-oxo-5-(2-oxopropyl)-1,3-oxazolidin-3-yl]benzohydrazide
CID 59905865
2-[[3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
CID 22447471
4-(2,6-dimethylmorpholin-4-yl)-N-quinolin-3-ylbenzamide
CID 10406295
4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59905867
actinium;[(5S)-3-[3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
CID 59043587
N-[[3-[3-fluoro-4-[4-[[methyl(quinolin-3-ylmethyl)amino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274191
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzamide
CID 22966198
2-amino-4-chloro-N-quinolin-3-ylbenzamide
CID 61111494
4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(1H-imidazol-2-yl)benzamide
CID 3006436
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 59043630

Frequently Asked Questions

What is the IUPAC name of actinium;[(5S)-3-[3-fluoro-4-(quinolin-3-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide?
The IUPAC name of actinium;[(5S)-3-[3-fluoro-4-(quinolin-3-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide (CID 59043598) is actinium;[(5S)-3-[3-fluoro-4-(quinolin-3-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide.
What is the SMILES notation for actinium;[(5S)-3-[3-fluoro-4-(quinolin-3-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide?
The canonical SMILES for actinium;[(5S)-3-[3-fluoro-4-(quinolin-3-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide is [Ac].[NH-]C[C@H]1CN(c2ccc(C(=O)Nc3cnc4ccccc4c3)c(F)c2)C(=O)O1.
What is the InChIKey of actinium;[(5S)-3-[3-fluoro-4-(quinolin-3-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide?
The InChIKey is ZGIGZYNYXYIMEX-RSAXXLAASA-N. The full InChI is InChI=1S/C20H16FN4O3.Ac/c21-17-8-14(25-11-15(9-22)28-20(25)27)5-6-16(17)19(26)24-13-7-12-3-1-2-4-18(12)23-10-13;/h1-8,10,15,22H,9,11H2,(H,24,26);/q-1;/t15-;/m0./s1.
What are the key properties of actinium;[(5S)-3-[3-fluoro-4-(quinolin-3-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide?
actinium;[(5S)-3-[3-fluoro-4-(quinolin-3-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide has a molecular weight of 606.37 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;[(5S)-3-[3-fluoro-4-(quinolin-3-ylcarbamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide is sourced from PubChem (CID 59043598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).