3-[4-[(4-fluorophenyl)methylamino]quinazolin-7-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

C20H18FN5O — CID 15079148

IUPAC3-[4-[(4-fluorophenyl)methylamino]quinazolin-7-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1c1ccc2c(NCc3ccc(F)cc3)ncnc2c1
InChIInChI=1S/C20H18FN5O/c1-12-8-18(27)25-26-19(12)14-4-7-16-17(9-14)23-11-24-20(16)22-10-13-2-5-15(21)6-3-13/h2-7,9,11-12H,8,10H2,1H3,(H,25,27)(H,22,23,24)
InChIKeyPXIBMIABKXXGQA-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.24
Rot. Bonds4

About 3-[4-[(4-fluorophenyl)methylamino]quinazolin-7-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

3-[4-[(4-fluorophenyl)methylamino]quinazolin-7-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 15079148) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is 3-[4-[(4-fluorophenyl)methylamino]quinazolin-7-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-[(4-fluorophenyl)methylamino]quinazolin-7-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID15079148
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name3-[4-[(4-fluorophenyl)methylamino]quinazolin-7-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1c1ccc2c(NCc3ccc(F)cc3)ncnc2c1
InChIInChI=1S/C20H18FN5O/c1-12-8-18(27)25-26-19(12)14-4-7-16-17(9-14)23-11-24-20(16)22-10-13-2-5-15(21)6-3-13/h2-7,9,11-12H,8,10H2,1H3,(H,25,27)(H,22,23,24)
InChIKeyPXIBMIABKXXGQA-UHFFFAOYSA-N
XLogP3.24
TPSA79.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-fluorophenyl)methylamino]quinazolin-7-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-[(4-fluorophenyl)methylamino]quinazolin-7-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 15079148) is 3-[4-[(4-fluorophenyl)methylamino]quinazolin-7-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-[(4-fluorophenyl)methylamino]quinazolin-7-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-[(4-fluorophenyl)methylamino]quinazolin-7-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is CC1CC(=O)NN=C1c1ccc2c(NCc3ccc(F)cc3)ncnc2c1.
What is the InChIKey of 3-[4-[(4-fluorophenyl)methylamino]quinazolin-7-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is PXIBMIABKXXGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-12-8-18(27)25-26-19(12)14-4-7-16-17(9-14)23-11-24-20(16)22-10-13-2-5-15(21)6-3-13/h2-7,9,11-12H,8,10H2,1H3,(H,25,27)(H,22,23,24).
What are the key properties of 3-[4-[(4-fluorophenyl)methylamino]quinazolin-7-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
3-[4-[(4-fluorophenyl)methylamino]quinazolin-7-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 363.40 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-fluorophenyl)methylamino]quinazolin-7-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 15079148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).