6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-methoxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one

C41H44N6O8 — CID 158166051

IUPAC6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-methoxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCOc1ccc2c(c1)C(=O)OC21CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1.O=C1OC2(CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC2)c2ccc(O)cc21
InChIInChI=1S/C21H23N3O4.C20H21N3O4/c1-27-13-6-7-16-15(12-13)19(26)28-21(16)8-10-24(11-9-21)20-22-17-5-3-2-4-14(17)18(25)23-20;24-12-5-6-15-14(11-12)18(26)27-20(15)7-9-23(10-8-20)19-21-16-4-2-1-3-13(16)17(25)22-19/h6-7,12H,2-5,8-11H2,1H3,(H,22,23,25);5-6,11,24H,1-4,7-10H2,(H,21,22,25)
InChIKeyFWVWGMMZDZGLOQ-UHFFFAOYSA-N
MW748.84 g/mol
LogP4.34
Rot. Bonds3

About 6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-methoxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one

6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-methoxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 158166051) has the molecular formula C41H44N6O8 and a molecular weight of 748.84 g/mol. Its IUPAC name is 6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-methoxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-methoxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID158166051
Molecular FormulaC41H44N6O8
Molecular Weight748.84 g/mol
Exact Mass748.32
IUPAC Name6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-methoxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCOc1ccc2c(c1)C(=O)OC21CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1.O=C1OC2(CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC2)c2ccc(O)cc21
InChIInChI=1S/C21H23N3O4.C20H21N3O4/c1-27-13-6-7-16-15(12-13)19(26)28-21(16)8-10-24(11-9-21)20-22-17-5-3-2-4-14(17)18(25)23-20;24-12-5-6-15-14(11-12)18(26)27-20(15)7-9-23(10-8-20)19-21-16-4-2-1-3-13(16)17(25)22-19/h6-7,12H,2-5,8-11H2,1H3,(H,22,23,25);5-6,11,24H,1-4,7-10H2,(H,21,22,25)
InChIKeyFWVWGMMZDZGLOQ-UHFFFAOYSA-N
XLogP4.34
TPSA180.04 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.84
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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

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Related Compounds

6-[2-(dimethylamino)ethoxy]-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-hydroxy-1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 162207773
6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 138594477
2-[4-(3-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135644892
2-(7-methoxyspiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 138594229
2-[6-(3-morpholin-4-ylpropoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 146592303
6-methoxy-1'-(4'-oxospiro[1,3-dihydroindene-2,5'-1,3-oxazole]-2'-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 118174284
6-methoxy-1'-[4-(3-piperidin-1-ylpropoxy)phenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 66783820
5-methoxy-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylic acid
CID 141133258
7-[(2-hydroxy-4-methoxyphenyl)methyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135674493
4-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 138594733
N-methyl-2-[1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1-yl]acetamide
CID 146648518
2-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 138594297

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-methoxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-methoxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 158166051) is 6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-methoxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-methoxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-methoxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one is COc1ccc2c(c1)C(=O)OC21CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1.O=C1OC2(CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC2)c2ccc(O)cc21.
What is the InChIKey of 6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-methoxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is FWVWGMMZDZGLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4.C20H21N3O4/c1-27-13-6-7-16-15(12-13)19(26)28-21(16)8-10-24(11-9-21)20-22-17-5-3-2-4-14(17)18(25)23-20;24-12-5-6-15-14(11-12)18(26)27-20(15)7-9-23(10-8-20)19-21-16-4-2-1-3-13(16)17(25)22-19/h6-7,12H,2-5,8-11H2,1H3,(H,22,23,25);5-6,11,24H,1-4,7-10H2,(H,21,22,25).
What are the key properties of 6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-methoxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-methoxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 748.84 g/mol, XLogP of 4.34, 3 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-methoxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 158166051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).