1'-(3,6-dichloro-2-methoxybenzoyl)-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one

C23H23Cl2NO6 — CID 108726253

IUPAC1'-(3,6-dichloro-2-methoxybenzoyl)-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1cc(OC)c2c(c1)OC1(CCN(C(=O)c3c(Cl)ccc(Cl)c3OC)CC1)CC2=O
InChIInChI=1S/C23H23Cl2NO6/c1-29-13-10-17(30-2)20-16(27)12-23(32-18(20)11-13)6-8-26(9-7-23)22(28)19-14(24)4-5-15(25)21(19)31-3/h4-5,10-11H,6-9,12H2,1-3H3
InChIKeyJVKKHUPXSNSNDF-UHFFFAOYSA-N
MW480.34 g/mol
LogP4.66
Rot. Bonds4

About 1'-(3,6-dichloro-2-methoxybenzoyl)-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one

1'-(3,6-dichloro-2-methoxybenzoyl)-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108726253) has the molecular formula C23H23Cl2NO6 and a molecular weight of 480.34 g/mol. Its IUPAC name is 1'-(3,6-dichloro-2-methoxybenzoyl)-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(3,6-dichloro-2-methoxybenzoyl)-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108726253
Molecular FormulaC23H23Cl2NO6
Molecular Weight480.34 g/mol
Exact Mass479.09
IUPAC Name1'-(3,6-dichloro-2-methoxybenzoyl)-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1cc(OC)c2c(c1)OC1(CCN(C(=O)c3c(Cl)ccc(Cl)c3OC)CC1)CC2=O
InChIInChI=1S/C23H23Cl2NO6/c1-29-13-10-17(30-2)20-16(27)12-23(32-18(20)11-13)6-8-26(9-7-23)22(28)19-14(24)4-5-15(25)21(19)31-3/h4-5,10-11H,6-9,12H2,1-3H3
InChIKeyJVKKHUPXSNSNDF-UHFFFAOYSA-N
XLogP4.66
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.34
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1'-(3,6-dichloro-2-methoxybenzoyl)-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one with MolForge

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Related Compounds

5,7-dimethoxy-1'-(4-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750376
6-chloro-1'-(3,6-dichloro-2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735063
5,7-dimethoxy-1'-(4-propan-2-ylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726292
1'-(3,4-dimethylbenzoyl)-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726277
1'-(2,4-difluorobenzoyl)-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726359
1'-[(E)-but-2-enoyl]-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750369
5-chloro-7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
CID 154351154
5,7-dimethoxy-1'-(3-methyl-4-nitrobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726279
6-chloro-1'-(2,6-dimethoxybenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758540
2-[2-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione
CID 108750406
1'-[2-(4-fluorophenyl)acetyl]-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750385
5,7-dimethoxy-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide
CID 108780314

Frequently Asked Questions

What is the IUPAC name of 1'-(3,6-dichloro-2-methoxybenzoyl)-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(3,6-dichloro-2-methoxybenzoyl)-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one (CID 108726253) is 1'-(3,6-dichloro-2-methoxybenzoyl)-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(3,6-dichloro-2-methoxybenzoyl)-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(3,6-dichloro-2-methoxybenzoyl)-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one is COc1cc(OC)c2c(c1)OC1(CCN(C(=O)c3c(Cl)ccc(Cl)c3OC)CC1)CC2=O.
What is the InChIKey of 1'-(3,6-dichloro-2-methoxybenzoyl)-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is JVKKHUPXSNSNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2NO6/c1-29-13-10-17(30-2)20-16(27)12-23(32-18(20)11-13)6-8-26(9-7-23)22(28)19-14(24)4-5-15(25)21(19)31-3/h4-5,10-11H,6-9,12H2,1-3H3.
What are the key properties of 1'-(3,6-dichloro-2-methoxybenzoyl)-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(3,6-dichloro-2-methoxybenzoyl)-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 480.34 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3,6-dichloro-2-methoxybenzoyl)-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108726253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).