2-(2-chlorophenyl)-7-phthalazin-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione

C20H15ClN4O2 — CID 166098610

IUPAC2-(2-chlorophenyl)-7-phthalazin-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESO=C1NC2(CC(c3ccccc3Cl)C2)C(=O)N1c1nncc2ccccc12
InChIInChI=1S/C20H15ClN4O2/c21-16-8-4-3-6-14(16)13-9-20(10-13)18(26)25(19(27)23-20)17-15-7-2-1-5-12(15)11-22-24-17/h1-8,11,13H,9-10H2,(H,23,27)
InChIKeyLWIUHQVCVHBYAO-UHFFFAOYSA-N
MW378.82 g/mol
LogP3.66
Rot. Bonds2

About 2-(2-chlorophenyl)-7-phthalazin-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione

2-(2-chlorophenyl)-7-phthalazin-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione (PubChem CID 166098610) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-7-phthalazin-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione.

Molecular Properties

Compound Name2-(2-chlorophenyl)-7-phthalazin-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione
PubChem CID166098610
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC Name2-(2-chlorophenyl)-7-phthalazin-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESO=C1NC2(CC(c3ccccc3Cl)C2)C(=O)N1c1nncc2ccccc12
InChIInChI=1S/C20H15ClN4O2/c21-16-8-4-3-6-14(16)13-9-20(10-13)18(26)25(19(27)23-20)17-15-7-2-1-5-12(15)11-22-24-17/h1-8,11,13H,9-10H2,(H,23,27)
InChIKeyLWIUHQVCVHBYAO-UHFFFAOYSA-N
XLogP3.66
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorophenyl)-N-(phthalazin-1-yl)acetamide
CID 154873539
2-(2-Chlorophenyl)-7-pyridazin-3-yl-5,7-diazaspiro[3.4]octane-6,8-dione
CID 166098646
2-(2-Chlorophenyl)-7-(cinnolin-4-yl)-5,7-diazaspiro[3.4]octane-6,8-dione
CID 166098722
2-(2,6-dichlorophenyl)-N-phthalazin-1-ylacetamide
CID 90467865
3-(2-chlorophenyl)-N-phthalazin-1-ylpropanamide
CID 90468005
3-(2,3-dichlorophenyl)-N-phthalazin-1-ylpropanamide
CID 90468006
3-(2-chlorophenyl)-N-(8-methylphthalazin-1-yl)propanamide
CID 90468154
3-(2-chloro-3-methylphenyl)-N-(8-methylphthalazin-1-yl)propanamide
CID 122663081
(3S)-2-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55936235
5-(4-Chlorophenyl)-5-ethyl-3-pyridazin-3-ylimidazolidine-2,4-dione
CID 121570655
(5S)-5-(4-chlorophenyl)-5-ethyl-3-pyridazin-3-ylimidazolidine-2,4-dione
CID 124260442
(5R)-5-(4-chlorophenyl)-5-ethyl-3-pyridazin-3-ylimidazolidine-2,4-dione
CID 124260443

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-7-phthalazin-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione?
The IUPAC name of 2-(2-chlorophenyl)-7-phthalazin-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione (CID 166098610) is 2-(2-chlorophenyl)-7-phthalazin-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione.
What is the SMILES notation for 2-(2-chlorophenyl)-7-phthalazin-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione?
The canonical SMILES for 2-(2-chlorophenyl)-7-phthalazin-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione is O=C1NC2(CC(c3ccccc3Cl)C2)C(=O)N1c1nncc2ccccc12.
What is the InChIKey of 2-(2-chlorophenyl)-7-phthalazin-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione?
The InChIKey is LWIUHQVCVHBYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c21-16-8-4-3-6-14(16)13-9-20(10-13)18(26)25(19(27)23-20)17-15-7-2-1-5-12(15)11-22-24-17/h1-8,11,13H,9-10H2,(H,23,27).
What are the key properties of 2-(2-chlorophenyl)-7-phthalazin-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione?
2-(2-chlorophenyl)-7-phthalazin-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione has a molecular weight of 378.82 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-7-phthalazin-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione is sourced from PubChem (CID 166098610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).