2-spiro[1,2-dihydroisoindole-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C20H24N4O — CID 138595093

IUPAC2-spiro[1,2-dihydroisoindole-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCC3(CC2)NCc2ccccc23)nc2c1CCCC2
InChIInChI=1S/C20H24N4O/c25-18-15-6-2-4-8-17(15)22-19(23-18)24-11-9-20(10-12-24)16-7-3-1-5-14(16)13-21-20/h1,3,5,7,21H,2,4,6,8-13H2,(H,22,23,25)
InChIKeySPNJDQXXJCQIMB-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.25
Rot. Bonds1

About 2-spiro[1,2-dihydroisoindole-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-spiro[1,2-dihydroisoindole-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 138595093) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-spiro[1,2-dihydroisoindole-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-spiro[1,2-dihydroisoindole-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID138595093
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2-spiro[1,2-dihydroisoindole-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCC3(CC2)NCc2ccccc23)nc2c1CCCC2
InChIInChI=1S/C20H24N4O/c25-18-15-6-2-4-8-17(15)22-19(23-18)24-11-9-20(10-12-24)16-7-3-1-5-14(16)13-21-20/h1,3,5,7,21H,2,4,6,8-13H2,(H,22,23,25)
InChIKeySPNJDQXXJCQIMB-UHFFFAOYSA-N
XLogP2.25
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-spiro[1,2-dihydroisoindole-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-spiro[1,2-dihydroisoindole-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 138595093) is 2-spiro[1,2-dihydroisoindole-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-spiro[1,2-dihydroisoindole-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-spiro[1,2-dihydroisoindole-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one is O=c1[nH]c(N2CCC3(CC2)NCc2ccccc23)nc2c1CCCC2.
What is the InChIKey of 2-spiro[1,2-dihydroisoindole-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is SPNJDQXXJCQIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c25-18-15-6-2-4-8-17(15)22-19(23-18)24-11-9-20(10-12-24)16-7-3-1-5-14(16)13-21-20/h1,3,5,7,21H,2,4,6,8-13H2,(H,22,23,25).
What are the key properties of 2-spiro[1,2-dihydroisoindole-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-spiro[1,2-dihydroisoindole-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 336.44 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[1,2-dihydroisoindole-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 138595093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).