4-hydroxy-N-[(1R,5S)-8-[2-hydroxy-3-(methylamino)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide

C24H34N4O4 — CID 91144006

IUPAC4-hydroxy-N-[(1R,5S)-8-[2-hydroxy-3-(methylamino)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide
SMILESCNCC(O)CN1[C@@H]2CC[C@H]1CC(NC(=O)c1c(O)c3ccccc3n(C(C)C)c1=O)C2
InChIInChI=1S/C24H34N4O4/c1-14(2)28-20-7-5-4-6-19(20)22(30)21(24(28)32)23(31)26-15-10-16-8-9-17(11-15)27(16)13-18(29)12-25-3/h4-7,14-18,25,29-30H,8-13H2,1-3H3,(H,26,31)/t15?,16-,17+,18?
InChIKeyWDURDENZCUTKFS-ZTOOSOLZSA-N
MW442.56 g/mol
LogP1.59
Rot. Bonds7

About 4-hydroxy-N-[(1R,5S)-8-[2-hydroxy-3-(methylamino)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide

4-hydroxy-N-[(1R,5S)-8-[2-hydroxy-3-(methylamino)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide (PubChem CID 91144006) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is 4-hydroxy-N-[(1R,5S)-8-[2-hydroxy-3-(methylamino)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[(1R,5S)-8-[2-hydroxy-3-(methylamino)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide
PubChem CID91144006
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC Name4-hydroxy-N-[(1R,5S)-8-[2-hydroxy-3-(methylamino)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide
SMILESCNCC(O)CN1[C@@H]2CC[C@H]1CC(NC(=O)c1c(O)c3ccccc3n(C(C)C)c1=O)C2
InChIInChI=1S/C24H34N4O4/c1-14(2)28-20-7-5-4-6-19(20)22(30)21(24(28)32)23(31)26-15-10-16-8-9-17(11-15)27(16)13-18(29)12-25-3/h4-7,14-18,25,29-30H,8-13H2,1-3H3,(H,26,31)/t15?,16-,17+,18?
InChIKeyWDURDENZCUTKFS-ZTOOSOLZSA-N
XLogP1.59
TPSA106.83 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-hydroxy-N-[(1R,5S)-8-[2-hydroxy-3-(methylamino)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(1R,5S)-8-[2-hydroxy-3-(methylamino)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-[(1R,5S)-8-[2-hydroxy-3-(methylamino)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide (CID 91144006) is 4-hydroxy-N-[(1R,5S)-8-[2-hydroxy-3-(methylamino)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[(1R,5S)-8-[2-hydroxy-3-(methylamino)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-[(1R,5S)-8-[2-hydroxy-3-(methylamino)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide is CNCC(O)CN1[C@@H]2CC[C@H]1CC(NC(=O)c1c(O)c3ccccc3n(C(C)C)c1=O)C2.
What is the InChIKey of 4-hydroxy-N-[(1R,5S)-8-[2-hydroxy-3-(methylamino)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide?
The InChIKey is WDURDENZCUTKFS-ZTOOSOLZSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-14(2)28-20-7-5-4-6-19(20)22(30)21(24(28)32)23(31)26-15-10-16-8-9-17(11-15)27(16)13-18(29)12-25-3/h4-7,14-18,25,29-30H,8-13H2,1-3H3,(H,26,31)/t15?,16-,17+,18?.
What are the key properties of 4-hydroxy-N-[(1R,5S)-8-[2-hydroxy-3-(methylamino)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide?
4-hydroxy-N-[(1R,5S)-8-[2-hydroxy-3-(methylamino)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 1.59, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(1R,5S)-8-[2-hydroxy-3-(methylamino)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide is sourced from PubChem (CID 91144006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).