6,8-dichloro-1'-(2-oxochromene-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

C23H17Cl2NO5 — CID 108735479

IUPAC6,8-dichloro-1'-(2-oxochromene-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3cc4ccccc4oc3=O)CC2)Oc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C23H17Cl2NO5/c24-14-10-15-18(27)12-23(31-20(15)17(25)11-14)5-7-26(8-6-23)21(28)16-9-13-3-1-2-4-19(13)30-22(16)29/h1-4,9-11H,5-8,12H2
InChIKeyGPGFNDQSDGTEEV-UHFFFAOYSA-N
MW458.30 g/mol
LogP4.74
Rot. Bonds1

About 6,8-dichloro-1'-(2-oxochromene-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

6,8-dichloro-1'-(2-oxochromene-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108735479) has the molecular formula C23H17Cl2NO5 and a molecular weight of 458.30 g/mol. Its IUPAC name is 6,8-dichloro-1'-(2-oxochromene-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6,8-dichloro-1'-(2-oxochromene-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108735479
Molecular FormulaC23H17Cl2NO5
Molecular Weight458.30 g/mol
Exact Mass457.05
IUPAC Name6,8-dichloro-1'-(2-oxochromene-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3cc4ccccc4oc3=O)CC2)Oc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C23H17Cl2NO5/c24-14-10-15-18(27)12-23(31-20(15)17(25)11-14)5-7-26(8-6-23)21(28)16-9-13-3-1-2-4-19(13)30-22(16)29/h1-4,9-11H,5-8,12H2
InChIKeyGPGFNDQSDGTEEV-UHFFFAOYSA-N
XLogP4.74
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.30
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

6,8-dichloro-1'-(furan-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758643
[3-(6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] acetate
CID 108758625
6-methoxy-1'-(2-oxochromene-3-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108746369
2-[1-(6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
CID 108758656
1'-benzoyl-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726147
3-[4-(2-oxochromene-3-carbonyl)-1,4-diazepane-1-carbonyl]chromen-2-one
CID 1224770
3-(azepane-1-carbonyl)chromen-2-one
CID 716526
6,8-dichloro-1'-(4-ethoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758658
6,8-dichloro-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770267
prop-2-enyl 6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108735528
6-chloro-1'-(naphthalene-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758396
6,8-dichloro-1'-[2-(4-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735520

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-1'-(2-oxochromene-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 6,8-dichloro-1'-(2-oxochromene-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 108735479) is 6,8-dichloro-1'-(2-oxochromene-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 6,8-dichloro-1'-(2-oxochromene-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 6,8-dichloro-1'-(2-oxochromene-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(C(=O)c3cc4ccccc4oc3=O)CC2)Oc2c(Cl)cc(Cl)cc21.
What is the InChIKey of 6,8-dichloro-1'-(2-oxochromene-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is GPGFNDQSDGTEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2NO5/c24-14-10-15-18(27)12-23(31-20(15)17(25)11-14)5-7-26(8-6-23)21(28)16-9-13-3-1-2-4-19(13)30-22(16)29/h1-4,9-11H,5-8,12H2.
What are the key properties of 6,8-dichloro-1'-(2-oxochromene-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
6,8-dichloro-1'-(2-oxochromene-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 458.30 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-1'-(2-oxochromene-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108735479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).