8-hydroxy-N-[2-[4-[(8-hydroxyquinoline-2-carbonyl)amino]-3-oxo-1,2-oxazolidin-2-yl]ethyl]quinoline-2-carboxamide

C25H21N5O6 — CID 171348553

IUPAC8-hydroxy-N-[2-[4-[(8-hydroxyquinoline-2-carbonyl)amino]-3-oxo-1,2-oxazolidin-2-yl]ethyl]quinoline-2-carboxamide
SMILESO=C(NCCN1OCC(NC(=O)c2ccc3cccc(O)c3n2)C1=O)c1ccc2cccc(O)c2n1
InChIInChI=1S/C25H21N5O6/c31-19-5-1-3-14-7-9-16(27-21(14)19)23(33)26-11-12-30-25(35)18(13-36-30)29-24(34)17-10-8-15-4-2-6-20(32)22(15)28-17/h1-10,18,31-32H,11-13H2,(H,26,33)(H,29,34)
InChIKeyQUDNQRRAUPRSKO-UHFFFAOYSA-N
MW487.47 g/mol
LogP1.50
Rot. Bonds6

About 8-hydroxy-N-[2-[4-[(8-hydroxyquinoline-2-carbonyl)amino]-3-oxo-1,2-oxazolidin-2-yl]ethyl]quinoline-2-carboxamide

8-hydroxy-N-[2-[4-[(8-hydroxyquinoline-2-carbonyl)amino]-3-oxo-1,2-oxazolidin-2-yl]ethyl]quinoline-2-carboxamide (PubChem CID 171348553) has the molecular formula C25H21N5O6 and a molecular weight of 487.47 g/mol. Its IUPAC name is 8-hydroxy-N-[2-[4-[(8-hydroxyquinoline-2-carbonyl)amino]-3-oxo-1,2-oxazolidin-2-yl]ethyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name8-hydroxy-N-[2-[4-[(8-hydroxyquinoline-2-carbonyl)amino]-3-oxo-1,2-oxazolidin-2-yl]ethyl]quinoline-2-carboxamide
PubChem CID171348553
Molecular FormulaC25H21N5O6
Molecular Weight487.47 g/mol
Exact Mass487.15
IUPAC Name8-hydroxy-N-[2-[4-[(8-hydroxyquinoline-2-carbonyl)amino]-3-oxo-1,2-oxazolidin-2-yl]ethyl]quinoline-2-carboxamide
SMILESO=C(NCCN1OCC(NC(=O)c2ccc3cccc(O)c3n2)C1=O)c1ccc2cccc(O)c2n1
InChIInChI=1S/C25H21N5O6/c31-19-5-1-3-14-7-9-16(27-21(14)19)23(33)26-11-12-30-25(35)18(13-36-30)29-24(34)17-10-8-15-4-2-6-20(32)22(15)28-17/h1-10,18,31-32H,11-13H2,(H,26,33)(H,29,34)
InChIKeyQUDNQRRAUPRSKO-UHFFFAOYSA-N
XLogP1.50
TPSA153.98 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.47
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-N-[2-[4-[(8-hydroxyquinoline-2-carbonyl)amino]-3-oxo-1,2-oxazolidin-2-yl]ethyl]quinoline-2-carboxamide?
The IUPAC name of 8-hydroxy-N-[2-[4-[(8-hydroxyquinoline-2-carbonyl)amino]-3-oxo-1,2-oxazolidin-2-yl]ethyl]quinoline-2-carboxamide (CID 171348553) is 8-hydroxy-N-[2-[4-[(8-hydroxyquinoline-2-carbonyl)amino]-3-oxo-1,2-oxazolidin-2-yl]ethyl]quinoline-2-carboxamide.
What is the SMILES notation for 8-hydroxy-N-[2-[4-[(8-hydroxyquinoline-2-carbonyl)amino]-3-oxo-1,2-oxazolidin-2-yl]ethyl]quinoline-2-carboxamide?
The canonical SMILES for 8-hydroxy-N-[2-[4-[(8-hydroxyquinoline-2-carbonyl)amino]-3-oxo-1,2-oxazolidin-2-yl]ethyl]quinoline-2-carboxamide is O=C(NCCN1OCC(NC(=O)c2ccc3cccc(O)c3n2)C1=O)c1ccc2cccc(O)c2n1.
What is the InChIKey of 8-hydroxy-N-[2-[4-[(8-hydroxyquinoline-2-carbonyl)amino]-3-oxo-1,2-oxazolidin-2-yl]ethyl]quinoline-2-carboxamide?
The InChIKey is QUDNQRRAUPRSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O6/c31-19-5-1-3-14-7-9-16(27-21(14)19)23(33)26-11-12-30-25(35)18(13-36-30)29-24(34)17-10-8-15-4-2-6-20(32)22(15)28-17/h1-10,18,31-32H,11-13H2,(H,26,33)(H,29,34).
What are the key properties of 8-hydroxy-N-[2-[4-[(8-hydroxyquinoline-2-carbonyl)amino]-3-oxo-1,2-oxazolidin-2-yl]ethyl]quinoline-2-carboxamide?
8-hydroxy-N-[2-[4-[(8-hydroxyquinoline-2-carbonyl)amino]-3-oxo-1,2-oxazolidin-2-yl]ethyl]quinoline-2-carboxamide has a molecular weight of 487.47 g/mol, XLogP of 1.50, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-N-[2-[4-[(8-hydroxyquinoline-2-carbonyl)amino]-3-oxo-1,2-oxazolidin-2-yl]ethyl]quinoline-2-carboxamide is sourced from PubChem (CID 171348553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).