[2-amino-5-oxo-4-(3-phenylquinolin-5-yl)-4,7-dihydro-1H-furo[3,4-b]pyridin-3-yl] propan-2-yl carbonate

C26H23N3O5 — CID 67846208

IUPAC[2-amino-5-oxo-4-(3-phenylquinolin-5-yl)-4,7-dihydro-1H-furo[3,4-b]pyridin-3-yl] propan-2-yl carbonate
SMILESCC(C)OC(=O)OC1=C(N)NC2=C(C(=O)OC2)C1c1cccc2ncc(-c3ccccc3)cc12
InChIInChI=1S/C26H23N3O5/c1-14(2)33-26(31)34-23-21(22-20(29-24(23)27)13-32-25(22)30)17-9-6-10-19-18(17)11-16(12-28-19)15-7-4-3-5-8-15/h3-12,14,21,29H,13,27H2,1-2H3
InChIKeyBIHHZRNZASPMKQ-UHFFFAOYSA-N
MW457.49 g/mol
LogP4.09
Rot. Bonds4

About [2-amino-5-oxo-4-(3-phenylquinolin-5-yl)-4,7-dihydro-1H-furo[3,4-b]pyridin-3-yl] propan-2-yl carbonate

[2-amino-5-oxo-4-(3-phenylquinolin-5-yl)-4,7-dihydro-1H-furo[3,4-b]pyridin-3-yl] propan-2-yl carbonate (PubChem CID 67846208) has the molecular formula C26H23N3O5 and a molecular weight of 457.49 g/mol. Its IUPAC name is [2-amino-5-oxo-4-(3-phenylquinolin-5-yl)-4,7-dihydro-1H-furo[3,4-b]pyridin-3-yl] propan-2-yl carbonate.

Molecular Properties

Compound Name[2-amino-5-oxo-4-(3-phenylquinolin-5-yl)-4,7-dihydro-1H-furo[3,4-b]pyridin-3-yl] propan-2-yl carbonate
PubChem CID67846208
Molecular FormulaC26H23N3O5
Molecular Weight457.49 g/mol
Exact Mass457.16
IUPAC Name[2-amino-5-oxo-4-(3-phenylquinolin-5-yl)-4,7-dihydro-1H-furo[3,4-b]pyridin-3-yl] propan-2-yl carbonate
SMILESCC(C)OC(=O)OC1=C(N)NC2=C(C(=O)OC2)C1c1cccc2ncc(-c3ccccc3)cc12
InChIInChI=1S/C26H23N3O5/c1-14(2)33-26(31)34-23-21(22-20(29-24(23)27)13-32-25(22)30)17-9-6-10-19-18(17)11-16(12-28-19)15-7-4-3-5-8-15/h3-12,14,21,29H,13,27H2,1-2H3
InChIKeyBIHHZRNZASPMKQ-UHFFFAOYSA-N
XLogP4.09
TPSA112.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-amino-5-oxo-4-(3-phenylquinolin-5-yl)-4,7-dihydro-1H-furo[3,4-b]pyridin-3-yl] propan-2-yl carbonate?
The IUPAC name of [2-amino-5-oxo-4-(3-phenylquinolin-5-yl)-4,7-dihydro-1H-furo[3,4-b]pyridin-3-yl] propan-2-yl carbonate (CID 67846208) is [2-amino-5-oxo-4-(3-phenylquinolin-5-yl)-4,7-dihydro-1H-furo[3,4-b]pyridin-3-yl] propan-2-yl carbonate.
What is the SMILES notation for [2-amino-5-oxo-4-(3-phenylquinolin-5-yl)-4,7-dihydro-1H-furo[3,4-b]pyridin-3-yl] propan-2-yl carbonate?
The canonical SMILES for [2-amino-5-oxo-4-(3-phenylquinolin-5-yl)-4,7-dihydro-1H-furo[3,4-b]pyridin-3-yl] propan-2-yl carbonate is CC(C)OC(=O)OC1=C(N)NC2=C(C(=O)OC2)C1c1cccc2ncc(-c3ccccc3)cc12.
What is the InChIKey of [2-amino-5-oxo-4-(3-phenylquinolin-5-yl)-4,7-dihydro-1H-furo[3,4-b]pyridin-3-yl] propan-2-yl carbonate?
The InChIKey is BIHHZRNZASPMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O5/c1-14(2)33-26(31)34-23-21(22-20(29-24(23)27)13-32-25(22)30)17-9-6-10-19-18(17)11-16(12-28-19)15-7-4-3-5-8-15/h3-12,14,21,29H,13,27H2,1-2H3.
What are the key properties of [2-amino-5-oxo-4-(3-phenylquinolin-5-yl)-4,7-dihydro-1H-furo[3,4-b]pyridin-3-yl] propan-2-yl carbonate?
[2-amino-5-oxo-4-(3-phenylquinolin-5-yl)-4,7-dihydro-1H-furo[3,4-b]pyridin-3-yl] propan-2-yl carbonate has a molecular weight of 457.49 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-oxo-4-(3-phenylquinolin-5-yl)-4,7-dihydro-1H-furo[3,4-b]pyridin-3-yl] propan-2-yl carbonate is sourced from PubChem (CID 67846208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).