2-(2-chlorophenyl)-7-pyridazin-3-yl-5,7-diazaspiro[3.4]octane-6,8-dione

C16H13ClN4O2 — CID 166098646

IUPAC2-(2-chlorophenyl)-7-pyridazin-3-yl-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESO=C1NC2(CC(c3ccccc3Cl)C2)C(=O)N1c1cccnn1
InChIInChI=1S/C16H13ClN4O2/c17-12-5-2-1-4-11(12)10-8-16(9-10)14(22)21(15(23)19-16)13-6-3-7-18-20-13/h1-7,10H,8-9H2,(H,19,23)
InChIKeyGXRWYUVCUQRKEQ-UHFFFAOYSA-N
MW328.76 g/mol
LogP2.50
Rot. Bonds2

About 2-(2-chlorophenyl)-7-pyridazin-3-yl-5,7-diazaspiro[3.4]octane-6,8-dione

2-(2-chlorophenyl)-7-pyridazin-3-yl-5,7-diazaspiro[3.4]octane-6,8-dione (PubChem CID 166098646) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-7-pyridazin-3-yl-5,7-diazaspiro[3.4]octane-6,8-dione.

Molecular Properties

Compound Name2-(2-chlorophenyl)-7-pyridazin-3-yl-5,7-diazaspiro[3.4]octane-6,8-dione
PubChem CID166098646
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC Name2-(2-chlorophenyl)-7-pyridazin-3-yl-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESO=C1NC2(CC(c3ccccc3Cl)C2)C(=O)N1c1cccnn1
InChIInChI=1S/C16H13ClN4O2/c17-12-5-2-1-4-11(12)10-8-16(9-10)14(22)21(15(23)19-16)13-6-3-7-18-20-13/h1-7,10H,8-9H2,(H,19,23)
InChIKeyGXRWYUVCUQRKEQ-UHFFFAOYSA-N
XLogP2.50
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 52.50
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

(S)-2-(4-chlorophenyl)-3-methyl-N-(pyridazin-3-yl)butanamide
CID 46226161
(2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-5-oxo-1-pyridazin-3-ylpyrrolidine-2-carboxamide
CID 90469512
2-(2-Chlorophenyl)-7-phthalazin-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione
CID 166098610
2-(2-chloro-4-fluorophenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]acetamide
CID 122138003
2-(2-chloro-4-fluorophenyl)-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]acetamide
CID 125133795
2-(2-chloro-4-fluorophenyl)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]acetamide
CID 125133796
N-[6-(N-acetylanilino)pyridazin-4-yl]-2-(2-chlorophenyl)acetamide
CID 162428208
N-[6-[acetyl-(6-methylcyclohexa-1,3-dien-1-yl)amino]pyridazin-4-yl]-2-(2,6-dichlorophenyl)acetamide
CID 162428417
1-[2-[[2-[(2-Chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 36800335
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 55481506
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]acetamide
CID 55566373
N-[1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738128

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-7-pyridazin-3-yl-5,7-diazaspiro[3.4]octane-6,8-dione?
The IUPAC name of 2-(2-chlorophenyl)-7-pyridazin-3-yl-5,7-diazaspiro[3.4]octane-6,8-dione (CID 166098646) is 2-(2-chlorophenyl)-7-pyridazin-3-yl-5,7-diazaspiro[3.4]octane-6,8-dione.
What is the SMILES notation for 2-(2-chlorophenyl)-7-pyridazin-3-yl-5,7-diazaspiro[3.4]octane-6,8-dione?
The canonical SMILES for 2-(2-chlorophenyl)-7-pyridazin-3-yl-5,7-diazaspiro[3.4]octane-6,8-dione is O=C1NC2(CC(c3ccccc3Cl)C2)C(=O)N1c1cccnn1.
What is the InChIKey of 2-(2-chlorophenyl)-7-pyridazin-3-yl-5,7-diazaspiro[3.4]octane-6,8-dione?
The InChIKey is GXRWYUVCUQRKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c17-12-5-2-1-4-11(12)10-8-16(9-10)14(22)21(15(23)19-16)13-6-3-7-18-20-13/h1-7,10H,8-9H2,(H,19,23).
What are the key properties of 2-(2-chlorophenyl)-7-pyridazin-3-yl-5,7-diazaspiro[3.4]octane-6,8-dione?
2-(2-chlorophenyl)-7-pyridazin-3-yl-5,7-diazaspiro[3.4]octane-6,8-dione has a molecular weight of 328.76 g/mol, XLogP of 2.50, 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-pyridazin-3-yl-5,7-diazaspiro[3.4]octane-6,8-dione is sourced from PubChem (CID 166098646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).