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

C24H24FN3O2 — CID 16885007

IUPAC6-(4-fluorophenyl)-2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]pyridazin-3-one
SMILESCc1ccc2c(c1)CCCN2C(=O)CCCn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C24H24FN3O2/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
InChIKeyVASDCNIPIMNZRD-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.12
Rot. Bonds5

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

6-(4-fluorophenyl)-2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]pyridazin-3-one (PubChem CID 16885007) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]pyridazin-3-one
PubChem CID16885007
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name6-(4-fluorophenyl)-2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]pyridazin-3-one
SMILESCc1ccc2c(c1)CCCN2C(=O)CCCn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C24H24FN3O2/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
InChIKeyVASDCNIPIMNZRD-UHFFFAOYSA-N
XLogP4.12
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]pyridazin-3-one?
The IUPAC name of 6-(4-fluorophenyl)-2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]pyridazin-3-one (CID 16885007) is 6-(4-fluorophenyl)-2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]pyridazin-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]pyridazin-3-one is Cc1ccc2c(c1)CCCN2C(=O)CCCn1nc(-c2ccc(F)cc2)ccc1=O.
What is the InChIKey of 6-(4-fluorophenyl)-2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]pyridazin-3-one?
The InChIKey is VASDCNIPIMNZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/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-fluorophenyl)-2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]pyridazin-3-one?
6-(4-fluorophenyl)-2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]pyridazin-3-one has a molecular weight of 405.47 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]pyridazin-3-one is sourced from PubChem (CID 16885007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).