6-(4-bromophenyl)-2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]pyridazin-3-one

C24H24BrN3O2 — CID 16884851

IUPAC6-(4-bromophenyl)-2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]pyridazin-3-one
SMILESCc1ccc2c(c1)CCCN2C(=O)CCCn1nc(-c2ccc(Br)cc2)ccc1=O
InChIInChI=1S/C24H24BrN3O2/c1-17-6-12-22-19(16-17)4-2-14-27(22)23(29)5-3-15-28-24(30)13-11-21(26-28)18-7-9-20(25)10-8-18/h6-13,16H,2-5,14-15H2,1H3
InChIKeyMHPFTNAZGCQSAJ-UHFFFAOYSA-N
MW466.38 g/mol
LogP4.74
Rot. Bonds5

About 6-(4-bromophenyl)-2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]pyridazin-3-one

6-(4-bromophenyl)-2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]pyridazin-3-one (PubChem CID 16884851) has the molecular formula C24H24BrN3O2 and a molecular weight of 466.38 g/mol. Its IUPAC name is 6-(4-bromophenyl)-2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-bromophenyl)-2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]pyridazin-3-one
PubChem CID16884851
Molecular FormulaC24H24BrN3O2
Molecular Weight466.38 g/mol
Exact Mass465.11
IUPAC Name6-(4-bromophenyl)-2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]pyridazin-3-one
SMILESCc1ccc2c(c1)CCCN2C(=O)CCCn1nc(-c2ccc(Br)cc2)ccc1=O
InChIInChI=1S/C24H24BrN3O2/c1-17-6-12-22-19(16-17)4-2-14-27(22)23(29)5-3-15-28-24(30)13-11-21(26-28)18-7-9-20(25)10-8-18/h6-13,16H,2-5,14-15H2,1H3
InChIKeyMHPFTNAZGCQSAJ-UHFFFAOYSA-N
XLogP4.74
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(4-bromophenyl)-2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]pyridazin-3-one with MolForge

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Related Compounds

2-[4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]-6-(4-ethoxyphenyl)pyridazin-3-one
CID 16885514
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 78776221
6-(4-bromophenyl)-2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]pyridazin-3-one
CID 71825200
2-[2-(1-acetyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-6-(4-bromophenyl)pyridazin-3-one
CID 52900337
2-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-phenylpyridazin-3-one
CID 55873032
4-hydroxy-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 79204921
N-(4-acetamidophenyl)-4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884859
2-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]-6-(4-methylphenyl)pyridazin-3-one
CID 25280934
2-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-6-(4-methylphenyl)pyridazin-3-one
CID 50800901
1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyethoxy)ethanone
CID 60538172
N-butan-2-yl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885644
[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentyl]urea
CID 60598985

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]pyridazin-3-one?
The IUPAC name of 6-(4-bromophenyl)-2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]pyridazin-3-one (CID 16884851) is 6-(4-bromophenyl)-2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-bromophenyl)-2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]pyridazin-3-one?
The canonical SMILES for 6-(4-bromophenyl)-2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]pyridazin-3-one is Cc1ccc2c(c1)CCCN2C(=O)CCCn1nc(-c2ccc(Br)cc2)ccc1=O.
What is the InChIKey of 6-(4-bromophenyl)-2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]pyridazin-3-one?
The InChIKey is MHPFTNAZGCQSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN3O2/c1-17-6-12-22-19(16-17)4-2-14-27(22)23(29)5-3-15-28-24(30)13-11-21(26-28)18-7-9-20(25)10-8-18/h6-13,16H,2-5,14-15H2,1H3.
What are the key properties of 6-(4-bromophenyl)-2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]pyridazin-3-one?
6-(4-bromophenyl)-2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]pyridazin-3-one has a molecular weight of 466.38 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]pyridazin-3-one is sourced from PubChem (CID 16884851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).