4-chloro-5-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one

C22H21ClN4O3 — CID 27772148

IUPAC4-chloro-5-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
SMILESCOc1ccccc1C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1
InChIInChI=1S/C22H21ClN4O3/c1-30-19-10-6-5-9-17(19)21(28)26-13-11-25(12-14-26)18-15-24-27(22(29)20(18)23)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3
InChIKeyUWCWIVLKCRRSNO-UHFFFAOYSA-N
MW424.89 g/mol
LogP2.86
Rot. Bonds4

About 4-chloro-5-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one

4-chloro-5-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one (PubChem CID 27772148) has the molecular formula C22H21ClN4O3 and a molecular weight of 424.89 g/mol. Its IUPAC name is 4-chloro-5-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
PubChem CID27772148
Molecular FormulaC22H21ClN4O3
Molecular Weight424.89 g/mol
Exact Mass424.13
IUPAC Name4-chloro-5-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
SMILESCOc1ccccc1C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1
InChIInChI=1S/C22H21ClN4O3/c1-30-19-10-6-5-9-17(19)21(28)26-13-11-25(12-14-26)18-15-24-27(22(29)20(18)23)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3
InChIKeyUWCWIVLKCRRSNO-UHFFFAOYSA-N
XLogP2.86
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one (CID 27772148) is 4-chloro-5-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one is COc1ccccc1C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1.
What is the InChIKey of 4-chloro-5-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
The InChIKey is UWCWIVLKCRRSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O3/c1-30-19-10-6-5-9-17(19)21(28)26-13-11-25(12-14-26)18-15-24-27(22(29)20(18)23)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3.
What are the key properties of 4-chloro-5-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
4-chloro-5-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one has a molecular weight of 424.89 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 27772148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).