furan-2-yl-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]methanone

C24H22N4O2 — CID 662369

IUPACfuran-2-yl-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]methanone
SMILESCc1ccc(-c2nnc(N3CCN(C(=O)c4ccco4)CC3)c3ccccc23)cc1
InChIInChI=1S/C24H22N4O2/c1-17-8-10-18(11-9-17)22-19-5-2-3-6-20(19)23(26-25-22)27-12-14-28(15-13-27)24(29)21-7-4-16-30-21/h2-11,16H,12-15H2,1H3
InChIKeyBHRQGUJVQWCXIL-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.16
Rot. Bonds3

About furan-2-yl-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]methanone

furan-2-yl-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]methanone (PubChem CID 662369) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is furan-2-yl-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]methanone
PubChem CID662369
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Namefuran-2-yl-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]methanone
SMILESCc1ccc(-c2nnc(N3CCN(C(=O)c4ccco4)CC3)c3ccccc23)cc1
InChIInChI=1S/C24H22N4O2/c1-17-8-10-18(11-9-17)22-19-5-2-3-6-20(19)23(26-25-22)27-12-14-28(15-13-27)24(29)21-7-4-16-30-21/h2-11,16H,12-15H2,1H3
InChIKeyBHRQGUJVQWCXIL-UHFFFAOYSA-N
XLogP4.16
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-p-Tolyloxy-1-[4-(4-p-tolyl-phthalazin-1-yl)-piperazin-1-yl]-ethanone
CID 6407401
N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]furan-2-carboxamide
CID 7422386
N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]furan-2-carboxamide
CID 7593466
2-Phenoxy-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone
CID 662606
N-[5-(4-methoxy-1-phthalazinyl)-2-(4-morpholinyl)phenyl]-2-furamide
CID 2945487
1-[4-[4-(4-Methylphenyl)phthalazin-1-yl]piperazin-1-yl]-2-phenoxyethanone
CID 6407344
N-(furan-2-ylmethyl)-4-methylphthalazin-1-amine
CID 2997821
1-[4-(Furan-2-carbonyl)piperazin-1-YL]-4-phenylphthalazine
CID 6405276
N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]furan-2-carboxamide
CID 7422382
3-[4-(Furan-2-carbonyl)piperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 1321203
2-(4-Methylphenoxy)-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone
CID 2951748
2-(4-Methoxyphenoxy)-1-{4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl}ethanone
CID 6407386

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]methanone (CID 662369) is furan-2-yl-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]methanone is Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccco4)CC3)c3ccccc23)cc1.
What is the InChIKey of furan-2-yl-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]methanone?
The InChIKey is BHRQGUJVQWCXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-17-8-10-18(11-9-17)22-19-5-2-3-6-20(19)23(26-25-22)27-12-14-28(15-13-27)24(29)21-7-4-16-30-21/h2-11,16H,12-15H2,1H3.
What are the key properties of furan-2-yl-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]methanone?
furan-2-yl-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]methanone has a molecular weight of 398.47 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 662369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).