6-chloro-1'-(2,6-dimethoxybenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one

C24H26ClNO5 — CID 108758540

IUPAC6-chloro-1'-(2,6-dimethoxybenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1cccc(OC)c1C(=O)N1CCC2(CC1)CC(=O)c1c(cc(C)c(Cl)c1C)O2
InChIInChI=1S/C24H26ClNO5/c1-14-12-19-20(15(2)22(14)25)16(27)13-24(31-19)8-10-26(11-9-24)23(28)21-17(29-3)6-5-7-18(21)30-4/h5-7,12H,8-11,13H2,1-4H3
InChIKeyZAJBPAZRFOXOBW-UHFFFAOYSA-N
MW443.93 g/mol
LogP4.61
Rot. Bonds3

About 6-chloro-1'-(2,6-dimethoxybenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one

6-chloro-1'-(2,6-dimethoxybenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108758540) has the molecular formula C24H26ClNO5 and a molecular weight of 443.93 g/mol. Its IUPAC name is 6-chloro-1'-(2,6-dimethoxybenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6-chloro-1'-(2,6-dimethoxybenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108758540
Molecular FormulaC24H26ClNO5
Molecular Weight443.93 g/mol
Exact Mass443.15
IUPAC Name6-chloro-1'-(2,6-dimethoxybenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1cccc(OC)c1C(=O)N1CCC2(CC1)CC(=O)c1c(cc(C)c(Cl)c1C)O2
InChIInChI=1S/C24H26ClNO5/c1-14-12-19-20(15(2)22(14)25)16(27)13-24(31-19)8-10-26(11-9-24)23(28)21-17(29-3)6-5-7-18(21)30-4/h5-7,12H,8-11,13H2,1-4H3
InChIKeyZAJBPAZRFOXOBW-UHFFFAOYSA-N
XLogP4.61
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.93
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-5,7-dimethyl-1'-(2-methylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735393
6-chloro-1'-(2-fluorobenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758533
6-chloro-1'-[2-(4-methoxyphenyl)acetyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735394
1'-butanoyl-6-chloro-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735412
6-chloro-5,7-dimethyl-1'-[2-(2-prop-2-enoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758603
6-chloro-5,7-dimethyl-1'-[2-(2,3,5-trimethylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735425
1-(6-chloro-5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(4-fluorophenyl)butane-1,4-dione
CID 108735417
1'-(3,6-dichloro-2-methoxybenzoyl)-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726253
6-chloro-5,7-dimethyl-1'-(3-nitro-4-pyrrolidin-1-ylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735366
5,7-dimethoxy-1'-(4-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750376
6-chloro-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 16643155
1'-(3,4-dimethylbenzoyl)-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726277

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1'-(2,6-dimethoxybenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 6-chloro-1'-(2,6-dimethoxybenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 108758540) is 6-chloro-1'-(2,6-dimethoxybenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 6-chloro-1'-(2,6-dimethoxybenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 6-chloro-1'-(2,6-dimethoxybenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one is COc1cccc(OC)c1C(=O)N1CCC2(CC1)CC(=O)c1c(cc(C)c(Cl)c1C)O2.
What is the InChIKey of 6-chloro-1'-(2,6-dimethoxybenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is ZAJBPAZRFOXOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClNO5/c1-14-12-19-20(15(2)22(14)25)16(27)13-24(31-19)8-10-26(11-9-24)23(28)21-17(29-3)6-5-7-18(21)30-4/h5-7,12H,8-11,13H2,1-4H3.
What are the key properties of 6-chloro-1'-(2,6-dimethoxybenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
6-chloro-1'-(2,6-dimethoxybenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 443.93 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1'-(2,6-dimethoxybenzoyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108758540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).