2-hydroxy-5-[(4S)-2-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-quinolin-4-yl]benzoic acid

C19H16N2O6 — CID 95122059

IUPAC2-hydroxy-5-[(4S)-2-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-quinolin-4-yl]benzoic acid
SMILESO=C1C[C@@H](c2ccc(O)c(C(=O)O)c2)c2ccc(N3CCOC3=O)cc2N1
InChIInChI=1S/C19H16N2O6/c22-16-4-1-10(7-14(16)18(24)25)13-9-17(23)20-15-8-11(2-3-12(13)15)21-5-6-27-19(21)26/h1-4,7-8,13,22H,5-6,9H2,(H,20,23)(H,24,25)/t13-/m0/s1
InChIKeyVWMUSVYUBJSAQP-ZDUSSCGKSA-N
MW368.35 g/mol
LogP2.52
Rot. Bonds3

About 2-hydroxy-5-[(4S)-2-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-quinolin-4-yl]benzoic acid

2-hydroxy-5-[(4S)-2-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-quinolin-4-yl]benzoic acid (PubChem CID 95122059) has the molecular formula C19H16N2O6 and a molecular weight of 368.35 g/mol. Its IUPAC name is 2-hydroxy-5-[(4S)-2-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-quinolin-4-yl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[(4S)-2-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-quinolin-4-yl]benzoic acid
PubChem CID95122059
Molecular FormulaC19H16N2O6
Molecular Weight368.35 g/mol
Exact Mass368.10
IUPAC Name2-hydroxy-5-[(4S)-2-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-quinolin-4-yl]benzoic acid
SMILESO=C1C[C@@H](c2ccc(O)c(C(=O)O)c2)c2ccc(N3CCOC3=O)cc2N1
InChIInChI=1S/C19H16N2O6/c22-16-4-1-10(7-14(16)18(24)25)13-9-17(23)20-15-8-11(2-3-12(13)15)21-5-6-27-19(21)26/h1-4,7-8,13,22H,5-6,9H2,(H,20,23)(H,24,25)/t13-/m0/s1
InChIKeyVWMUSVYUBJSAQP-ZDUSSCGKSA-N
XLogP2.52
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[(4S)-2-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-quinolin-4-yl]benzoic acid?
The IUPAC name of 2-hydroxy-5-[(4S)-2-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-quinolin-4-yl]benzoic acid (CID 95122059) is 2-hydroxy-5-[(4S)-2-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-quinolin-4-yl]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[(4S)-2-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-quinolin-4-yl]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[(4S)-2-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-quinolin-4-yl]benzoic acid is O=C1C[C@@H](c2ccc(O)c(C(=O)O)c2)c2ccc(N3CCOC3=O)cc2N1.
What is the InChIKey of 2-hydroxy-5-[(4S)-2-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-quinolin-4-yl]benzoic acid?
The InChIKey is VWMUSVYUBJSAQP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H16N2O6/c22-16-4-1-10(7-14(16)18(24)25)13-9-17(23)20-15-8-11(2-3-12(13)15)21-5-6-27-19(21)26/h1-4,7-8,13,22H,5-6,9H2,(H,20,23)(H,24,25)/t13-/m0/s1.
What are the key properties of 2-hydroxy-5-[(4S)-2-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-quinolin-4-yl]benzoic acid?
2-hydroxy-5-[(4S)-2-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-quinolin-4-yl]benzoic acid has a molecular weight of 368.35 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[(4S)-2-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-quinolin-4-yl]benzoic acid is sourced from PubChem (CID 95122059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).