8-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(dimethylcarbamoyl)-2-oxoquinoline-1-carboxamide

C19H21N5O6 — CID 67691481

IUPAC8-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(dimethylcarbamoyl)-2-oxoquinoline-1-carboxamide
SMILESCC(=O)NC[C@H]1CN(c2cccc3ccc(=O)n(C(=O)NC(=O)N(C)C)c23)C(=O)O1
InChIInChI=1S/C19H21N5O6/c1-11(25)20-9-13-10-23(19(29)30-13)14-6-4-5-12-7-8-15(26)24(16(12)14)18(28)21-17(27)22(2)3/h4-8,13H,9-10H2,1-3H3,(H,20,25)(H,21,27,28)/t13-/m0/s1
InChIKeyJGGAJYROTSCFAM-ZDUSSCGKSA-N
MW415.41 g/mol
LogP0.70
Rot. Bonds3

About 8-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(dimethylcarbamoyl)-2-oxoquinoline-1-carboxamide

8-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(dimethylcarbamoyl)-2-oxoquinoline-1-carboxamide (PubChem CID 67691481) has the molecular formula C19H21N5O6 and a molecular weight of 415.41 g/mol. Its IUPAC name is 8-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(dimethylcarbamoyl)-2-oxoquinoline-1-carboxamide.

Molecular Properties

Compound Name8-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(dimethylcarbamoyl)-2-oxoquinoline-1-carboxamide
PubChem CID67691481
Molecular FormulaC19H21N5O6
Molecular Weight415.41 g/mol
Exact Mass415.15
IUPAC Name8-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(dimethylcarbamoyl)-2-oxoquinoline-1-carboxamide
SMILESCC(=O)NC[C@H]1CN(c2cccc3ccc(=O)n(C(=O)NC(=O)N(C)C)c23)C(=O)O1
InChIInChI=1S/C19H21N5O6/c1-11(25)20-9-13-10-23(19(29)30-13)14-6-4-5-12-7-8-15(26)24(16(12)14)18(28)21-17(27)22(2)3/h4-8,13H,9-10H2,1-3H3,(H,20,25)(H,21,27,28)/t13-/m0/s1
InChIKeyJGGAJYROTSCFAM-ZDUSSCGKSA-N
XLogP0.70
TPSA130.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(dimethylcarbamoyl)-2-oxoquinoline-1-carboxamide with MolForge

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Related Compounds

N-[[(5S)-3-(1-methylsulfonyl-2-oxoquinolin-8-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67691921
N-[(3-naphthalen-2-yl-2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide
CID 19012489
N-[(2-oxo-3-pyridin-2-yl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 10082798
but-2-yne;ethane;N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]acetamide
CID 90796180
N-[[3-[4-(2-hydroxyethylsulfanyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14011393
N-[[(5R)-3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54472628
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
3-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,1-dimethylurea
CID 110328047
N-[[(5S)-3-(6-methylthieno[2,3-b]pyridin-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67695879
N-[[(5S)-2-oxo-3-quinolin-6-yl-1,3-oxazolidin-5-yl]methyl]acetamide;hydrochloride
CID 67664955
N-[[(5R)-3-[4-(1-hydroxyethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 151762391
N-[[3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68698825

Frequently Asked Questions

What is the IUPAC name of 8-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(dimethylcarbamoyl)-2-oxoquinoline-1-carboxamide?
The IUPAC name of 8-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(dimethylcarbamoyl)-2-oxoquinoline-1-carboxamide (CID 67691481) is 8-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(dimethylcarbamoyl)-2-oxoquinoline-1-carboxamide.
What is the SMILES notation for 8-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(dimethylcarbamoyl)-2-oxoquinoline-1-carboxamide?
The canonical SMILES for 8-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(dimethylcarbamoyl)-2-oxoquinoline-1-carboxamide is CC(=O)NC[C@H]1CN(c2cccc3ccc(=O)n(C(=O)NC(=O)N(C)C)c23)C(=O)O1.
What is the InChIKey of 8-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(dimethylcarbamoyl)-2-oxoquinoline-1-carboxamide?
The InChIKey is JGGAJYROTSCFAM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21N5O6/c1-11(25)20-9-13-10-23(19(29)30-13)14-6-4-5-12-7-8-15(26)24(16(12)14)18(28)21-17(27)22(2)3/h4-8,13H,9-10H2,1-3H3,(H,20,25)(H,21,27,28)/t13-/m0/s1.
What are the key properties of 8-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(dimethylcarbamoyl)-2-oxoquinoline-1-carboxamide?
8-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(dimethylcarbamoyl)-2-oxoquinoline-1-carboxamide has a molecular weight of 415.41 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(dimethylcarbamoyl)-2-oxoquinoline-1-carboxamide is sourced from PubChem (CID 67691481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).