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

C20H23N3O2 — CID 138594436

IUPAC2-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCC3(CC2)COc2ccccc23)nc2c1CCCC2
InChIInChI=1S/C20H23N3O2/c24-18-14-5-1-3-7-16(14)21-19(22-18)23-11-9-20(10-12-23)13-25-17-8-4-2-6-15(17)20/h2,4,6,8H,1,3,5,7,9-13H2,(H,21,22,24)
InChIKeyZMPMZCQDIANEGC-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.58
Rot. Bonds1

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

2-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 138594436) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID138594436
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCC3(CC2)COc2ccccc23)nc2c1CCCC2
InChIInChI=1S/C20H23N3O2/c24-18-14-5-1-3-7-16(14)21-19(22-18)23-11-9-20(10-12-23)13-25-17-8-4-2-6-15(17)20/h2,4,6,8H,1,3,5,7,9-13H2,(H,21,22,24)
InChIKeyZMPMZCQDIANEGC-UHFFFAOYSA-N
XLogP2.58
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[1-benzofuran-3,4'-piperidine]-2-one
CID 138594785
2-[4-(2-methoxyphenyl)piperidin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136268378
2-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 155535415
US10308660, Example 181
CID 124150494
2-(ethylamino)-7-(2-methoxyethoxy)-5,5-dimethyl-3-prop-2-enyl-6H-benzo[h]quinazolin-4-one
CID 71720200
2-[{[1-(hydroxymethyl)cyclopentyl]methyl}(methyl)amino]-5,11-dihydro[1]benzoxepino[3,4-d]pyrimidin-4(3H)-one
CID 136231842
2-(3,5-dimethylpiperidin-1-yl)-4-hydroxy-5-(2-methoxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
CID 135637769
2-(4,4-difluoropiperidin-1-yl)-5,11-dihydro[1]benzoxepino[3,4-d]pyrimidin-4(3H)-one
CID 136217018
2-[4-(2-methoxyethyl)piperazin-1-yl]-5,11-dihydro[1]benzoxepino[3,4-d]pyrimidin-4(3H)-one
CID 136217021
2-{methyl[2-(2-oxopiperidin-1-yl)ethyl]amino}-5,11-dihydro[1]benzoxepino[3,4-d]pyrimidin-4(3H)-one
CID 136217040
2-({[4-(dimethylamino)tetrahydro-2H-pyran-4-yl]methyl}amino)-5,11-dihydro[1]benzoxepino[3,4-d]pyrimidin-4(3H)-one
CID 136217118
2-{[3-(dimethylamino)-2,2-dimethylpropyl]amino}-5,11-dihydro[1]benzoxepino[3,4-d]pyrimidin-4(3H)-one
CID 136226543

Frequently Asked Questions

What is the IUPAC name of 2-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 138594436) is 2-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one is O=c1[nH]c(N2CCC3(CC2)COc2ccccc23)nc2c1CCCC2.
What is the InChIKey of 2-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is ZMPMZCQDIANEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-18-14-5-1-3-7-16(14)21-19(22-18)23-11-9-20(10-12-23)13-25-17-8-4-2-6-15(17)20/h2,4,6,8H,1,3,5,7,9-13H2,(H,21,22,24).
What are the key properties of 2-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 337.42 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 138594436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).