5-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxy-4-oxoquinolin-2-yl]-2-morpholin-4-ylbenzamide

C25H27N3O8 — CID 151182165

IUPAC5-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxy-4-oxoquinolin-2-yl]-2-morpholin-4-ylbenzamide
SMILESNC(=O)c1cc(-c2c(O)c(=O)c3ccccc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1N1CCOCC1
InChIInChI=1S/C25H27N3O8/c26-24(34)15-11-13(5-6-16(15)27-7-9-35-10-8-27)19-22(32)20(30)14-3-1-2-4-17(14)28(19)25-23(33)21(31)18(12-29)36-25/h1-6,11,18,21,23,25,29,31-33H,7-10,12H2,(H2,26,34)/t18-,21-,23-,25-/m1/s1
InChIKeyNENMTJBMHLMMHU-RQNMURNCSA-N
MW497.50 g/mol
LogP-0.08
Rot. Bonds5

About 5-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxy-4-oxoquinolin-2-yl]-2-morpholin-4-ylbenzamide

5-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxy-4-oxoquinolin-2-yl]-2-morpholin-4-ylbenzamide (PubChem CID 151182165) has the molecular formula C25H27N3O8 and a molecular weight of 497.50 g/mol. Its IUPAC name is 5-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxy-4-oxoquinolin-2-yl]-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name5-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxy-4-oxoquinolin-2-yl]-2-morpholin-4-ylbenzamide
PubChem CID151182165
Molecular FormulaC25H27N3O8
Molecular Weight497.50 g/mol
Exact Mass497.18
IUPAC Name5-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxy-4-oxoquinolin-2-yl]-2-morpholin-4-ylbenzamide
SMILESNC(=O)c1cc(-c2c(O)c(=O)c3ccccc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1N1CCOCC1
InChIInChI=1S/C25H27N3O8/c26-24(34)15-11-13(5-6-16(15)27-7-9-35-10-8-27)19-22(32)20(30)14-3-1-2-4-17(14)28(19)25-23(33)21(31)18(12-29)36-25/h1-6,11,18,21,23,25,29,31-33H,7-10,12H2,(H2,26,34)/t18-,21-,23-,25-/m1/s1
InChIKeyNENMTJBMHLMMHU-RQNMURNCSA-N
XLogP-0.08
TPSA167.71 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.50
LogP ≤ 5-0.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 5-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxy-4-oxoquinolin-2-yl]-2-morpholin-4-ylbenzamide with MolForge

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Related Compounds

3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-benzimidazole-2-thione
CID 4021269
1-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]quinolin-4-one
CID 118450077
2-[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]acetate
CID 57466632
2-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrole-3-carboxamide
CID 46873893
2-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 69272412
1-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indole-3-carbaldehyde
CID 95045362
1-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indole-3-carbaldehyde
CID 95045363
1-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indole-3-carbaldehyde
CID 124526093
6,7-dichloro-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxoquinoline-3-carboxylic acid
CID 100926517
9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-morpholin-4-yl-1H-purin-6-one
CID 135457092
(2R,3S,4S,5S)-2-(2,3-dihydroindol-1-yl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 134128988
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-5-phenylpyridin-2-one
CID 71463260

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxy-4-oxoquinolin-2-yl]-2-morpholin-4-ylbenzamide?
The IUPAC name of 5-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxy-4-oxoquinolin-2-yl]-2-morpholin-4-ylbenzamide (CID 151182165) is 5-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxy-4-oxoquinolin-2-yl]-2-morpholin-4-ylbenzamide.
What is the SMILES notation for 5-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxy-4-oxoquinolin-2-yl]-2-morpholin-4-ylbenzamide?
The canonical SMILES for 5-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxy-4-oxoquinolin-2-yl]-2-morpholin-4-ylbenzamide is NC(=O)c1cc(-c2c(O)c(=O)c3ccccc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1N1CCOCC1.
What is the InChIKey of 5-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxy-4-oxoquinolin-2-yl]-2-morpholin-4-ylbenzamide?
The InChIKey is NENMTJBMHLMMHU-RQNMURNCSA-N. The full InChI is InChI=1S/C25H27N3O8/c26-24(34)15-11-13(5-6-16(15)27-7-9-35-10-8-27)19-22(32)20(30)14-3-1-2-4-17(14)28(19)25-23(33)21(31)18(12-29)36-25/h1-6,11,18,21,23,25,29,31-33H,7-10,12H2,(H2,26,34)/t18-,21-,23-,25-/m1/s1.
What are the key properties of 5-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxy-4-oxoquinolin-2-yl]-2-morpholin-4-ylbenzamide?
5-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxy-4-oxoquinolin-2-yl]-2-morpholin-4-ylbenzamide has a molecular weight of 497.50 g/mol, XLogP of -0.08, 5 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxy-4-oxoquinolin-2-yl]-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 151182165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).