[1-hydroxy-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)-4-[3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]butan-2-yl] N-(2-methylpropyl)carbamate

C33H44N4O6 — CID 142785062

About [1-hydroxy-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)-4-[3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]butan-2-yl] N-(2-methylpropyl)carbamate

[1-hydroxy-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)-4-[3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]butan-2-yl] N-(2-methylpropyl)carbamate (PubChem CID 142785062) has the molecular formula C33H44N4O6 and a molecular weight of 592.74 g/mol. Its IUPAC name is [1-hydroxy-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)-4-[3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]butan-2-yl] N-(2-methylpropyl)carbamate.

Molecular Properties

• Compound Name: [1-hydroxy-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)-4-[3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]butan-2-yl] N-(2-methylpropyl)carbamate
• PubChem CID: 142785062
• Molecular Formula: C33H44N4O6
• Molecular Weight: 592.74 g/mol
• Exact Mass: 592.33
• IUPAC Name: [1-hydroxy-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)-4-[3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]butan-2-yl] N-(2-methylpropyl)carbamate
• SMILES: CC(C)CNC(=O)OC(CCc1cccc(CN2CCC3(CC2)CNCCO3)c1)C(O)c1ccc(O)c2[nH]c(=O)ccc12
• InChI: InChI=1S/C33H44N4O6/c1-22(2)19-35-32(41)43-28(31(40)26-7-9-27(38)30-25(26)8-11-29(39)36-30)10-6-23-4-3-5-24(18-23)20-37-15-12-33(13-16-37)21-34-14-17-42-33/h3-5,7-9,11,18,22,28,31,34,38,40H,6,10,12-17,19-21H2,1-2H3,(H,35,41)(H,36,39)
• InChIKey: NKUPGIFGZFCAHL-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 136.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	592.74
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [1-hydroxy-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)-4-[3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]butan-2-yl] N-(2-methylpropyl)carbamate?

The IUPAC name of [1-hydroxy-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)-4-[3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]butan-2-yl] N-(2-methylpropyl)carbamate (CID 142785062) is [1-hydroxy-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)-4-[3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]butan-2-yl] N-(2-methylpropyl)carbamate.

What is the SMILES notation for [1-hydroxy-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)-4-[3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]butan-2-yl] N-(2-methylpropyl)carbamate?

The canonical SMILES for [1-hydroxy-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)-4-[3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]butan-2-yl] N-(2-methylpropyl)carbamate is CC(C)CNC(=O)OC(CCc1cccc(CN2CCC3(CC2)CNCCO3)c1)C(O)c1ccc(O)c2[nH]c(=O)ccc12.

What is the InChIKey of [1-hydroxy-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)-4-[3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]butan-2-yl] N-(2-methylpropyl)carbamate?

The InChIKey is NKUPGIFGZFCAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N4O6/c1-22(2)19-35-32(41)43-28(31(40)26-7-9-27(38)30-25(26)8-11-29(39)36-30)10-6-23-4-3-5-24(18-23)20-37-15-12-33(13-16-37)21-34-14-17-42-33/h3-5,7-9,11,18,22,28,31,34,38,40H,6,10,12-17,19-21H2,1-2H3,(H,35,41)(H,36,39).

What are the key properties of [1-hydroxy-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)-4-[3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]butan-2-yl] N-(2-methylpropyl)carbamate?

[1-hydroxy-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)-4-[3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]butan-2-yl] N-(2-methylpropyl)carbamate has a molecular weight of 592.74 g/mol, XLogP of 3.61, 10 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1-hydroxy-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)-4-[3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]butan-2-yl] N-(2-methylpropyl)carbamate is sourced from PubChem (CID 142785062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).