(2-oxo-1-propan-2-ylquinolin-3-yl) N-[(1R,5S)-8-[(2R)-3-[acetyl(methyl)amino]-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate

C26H36N4O5 — CID 68857641

IUPAC(2-oxo-1-propan-2-ylquinolin-3-yl) N-[(1R,5S)-8-[(2R)-3-[acetyl(methyl)amino]-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate
SMILESCC(=O)N(C)C[C@H](O)CN1[C@@H]2CC[C@H]1CC(NC(=O)Oc1cc3ccccc3n(C(C)C)c1=O)C2
InChIInChI=1S/C26H36N4O5/c1-16(2)30-23-8-6-5-7-18(23)11-24(25(30)33)35-26(34)27-19-12-20-9-10-21(13-19)29(20)15-22(32)14-28(4)17(3)31/h5-8,11,16,19-22,32H,9-10,12-15H2,1-4H3,(H,27,34)/t19?,20-,21+,22-/m0/s1
InChIKeyCKDOLNIUFAOTFX-KBRMVUAJSA-N
MW484.60 g/mol
LogP2.51
Rot. Bonds7

About (2-oxo-1-propan-2-ylquinolin-3-yl) N-[(1R,5S)-8-[(2R)-3-[acetyl(methyl)amino]-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate

(2-oxo-1-propan-2-ylquinolin-3-yl) N-[(1R,5S)-8-[(2R)-3-[acetyl(methyl)amino]-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate (PubChem CID 68857641) has the molecular formula C26H36N4O5 and a molecular weight of 484.60 g/mol. Its IUPAC name is (2-oxo-1-propan-2-ylquinolin-3-yl) N-[(1R,5S)-8-[(2R)-3-[acetyl(methyl)amino]-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate.

Molecular Properties

Compound Name(2-oxo-1-propan-2-ylquinolin-3-yl) N-[(1R,5S)-8-[(2R)-3-[acetyl(methyl)amino]-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate
PubChem CID68857641
Molecular FormulaC26H36N4O5
Molecular Weight484.60 g/mol
Exact Mass484.27
IUPAC Name(2-oxo-1-propan-2-ylquinolin-3-yl) N-[(1R,5S)-8-[(2R)-3-[acetyl(methyl)amino]-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate
SMILESCC(=O)N(C)C[C@H](O)CN1[C@@H]2CC[C@H]1CC(NC(=O)Oc1cc3ccccc3n(C(C)C)c1=O)C2
InChIInChI=1S/C26H36N4O5/c1-16(2)30-23-8-6-5-7-18(23)11-24(25(30)33)35-26(34)27-19-12-20-9-10-21(13-19)29(20)15-22(32)14-28(4)17(3)31/h5-8,11,16,19-22,32H,9-10,12-15H2,1-4H3,(H,27,34)/t19?,20-,21+,22-/m0/s1
InChIKeyCKDOLNIUFAOTFX-KBRMVUAJSA-N
XLogP2.51
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2-oxo-1-propan-2-ylquinolin-3-yl) N-[(1R,5S)-8-[(2R)-3-[acetyl(methyl)amino]-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1-propan-2-ylquinolin-3-yl) N-[(1R,5S)-8-[(2R)-3-[acetyl(methyl)amino]-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate?
The IUPAC name of (2-oxo-1-propan-2-ylquinolin-3-yl) N-[(1R,5S)-8-[(2R)-3-[acetyl(methyl)amino]-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate (CID 68857641) is (2-oxo-1-propan-2-ylquinolin-3-yl) N-[(1R,5S)-8-[(2R)-3-[acetyl(methyl)amino]-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate.
What is the SMILES notation for (2-oxo-1-propan-2-ylquinolin-3-yl) N-[(1R,5S)-8-[(2R)-3-[acetyl(methyl)amino]-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate?
The canonical SMILES for (2-oxo-1-propan-2-ylquinolin-3-yl) N-[(1R,5S)-8-[(2R)-3-[acetyl(methyl)amino]-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate is CC(=O)N(C)C[C@H](O)CN1[C@@H]2CC[C@H]1CC(NC(=O)Oc1cc3ccccc3n(C(C)C)c1=O)C2.
What is the InChIKey of (2-oxo-1-propan-2-ylquinolin-3-yl) N-[(1R,5S)-8-[(2R)-3-[acetyl(methyl)amino]-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate?
The InChIKey is CKDOLNIUFAOTFX-KBRMVUAJSA-N. The full InChI is InChI=1S/C26H36N4O5/c1-16(2)30-23-8-6-5-7-18(23)11-24(25(30)33)35-26(34)27-19-12-20-9-10-21(13-19)29(20)15-22(32)14-28(4)17(3)31/h5-8,11,16,19-22,32H,9-10,12-15H2,1-4H3,(H,27,34)/t19?,20-,21+,22-/m0/s1.
What are the key properties of (2-oxo-1-propan-2-ylquinolin-3-yl) N-[(1R,5S)-8-[(2R)-3-[acetyl(methyl)amino]-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate?
(2-oxo-1-propan-2-ylquinolin-3-yl) N-[(1R,5S)-8-[(2R)-3-[acetyl(methyl)amino]-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate has a molecular weight of 484.60 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1-propan-2-ylquinolin-3-yl) N-[(1R,5S)-8-[(2R)-3-[acetyl(methyl)amino]-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate is sourced from PubChem (CID 68857641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).