1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-3'-one

C19H20N4O3 — CID 138594870

IUPAC1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-3'-one
SMILESO=C1CN(c2nc3c(c(=O)[nH]2)CCCC3)CCC12OCc1cccnc12
InChIInChI=1S/C19H20N4O3/c24-15-10-23(18-21-14-6-2-1-5-13(14)17(25)22-18)9-7-19(15)16-12(11-26-19)4-3-8-20-16/h3-4,8H,1-2,5-7,9-11H2,(H,21,22,25)
InChIKeyONZOKRIDMFEMCR-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.25
Rot. Bonds1

About 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-3'-one

1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-3'-one (PubChem CID 138594870) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-3'-one.

Molecular Properties

Compound Name1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-3'-one
PubChem CID138594870
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-3'-one
SMILESO=C1CN(c2nc3c(c(=O)[nH]2)CCCC3)CCC12OCc1cccnc12
InChIInChI=1S/C19H20N4O3/c24-15-10-23(18-21-14-6-2-1-5-13(14)17(25)22-18)9-7-19(15)16-12(11-26-19)4-3-8-20-16/h3-4,8H,1-2,5-7,9-11H2,(H,21,22,25)
InChIKeyONZOKRIDMFEMCR-UHFFFAOYSA-N
XLogP1.25
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-3'-one?
The IUPAC name of 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-3'-one (CID 138594870) is 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-3'-one.
What is the SMILES notation for 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-3'-one?
The canonical SMILES for 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-3'-one is O=C1CN(c2nc3c(c(=O)[nH]2)CCCC3)CCC12OCc1cccnc12.
What is the InChIKey of 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-3'-one?
The InChIKey is ONZOKRIDMFEMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-15-10-23(18-21-14-6-2-1-5-13(14)17(25)22-18)9-7-19(15)16-12(11-26-19)4-3-8-20-16/h3-4,8H,1-2,5-7,9-11H2,(H,21,22,25).
What are the key properties of 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-3'-one?
1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-3'-one has a molecular weight of 352.39 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-3'-one is sourced from PubChem (CID 138594870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).