2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]pyridazin-3-one

C18H18FN5O — CID 126934512

IUPAC2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]pyridazin-3-one
SMILESO=c1cccnn1C1CCC(Nc2ncnc3ccc(F)cc23)CC1
InChIInChI=1S/C18H18FN5O/c19-12-3-8-16-15(10-12)18(21-11-20-16)23-13-4-6-14(7-5-13)24-17(25)2-1-9-22-24/h1-3,8-11,13-14H,4-7H2,(H,20,21,23)
InChIKeyQQDBCIBKRXODMW-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.92
Rot. Bonds3

About 2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]pyridazin-3-one

2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]pyridazin-3-one (PubChem CID 126934512) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]pyridazin-3-one
PubChem CID126934512
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]pyridazin-3-one
SMILESO=c1cccnn1C1CCC(Nc2ncnc3ccc(F)cc23)CC1
InChIInChI=1S/C18H18FN5O/c19-12-3-8-16-15(10-12)18(21-11-20-16)23-13-4-6-14(7-5-13)24-17(25)2-1-9-22-24/h1-3,8-11,13-14H,4-7H2,(H,20,21,23)
InChIKeyQQDBCIBKRXODMW-UHFFFAOYSA-N
XLogP2.92
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]pyridazin-3-one?
The IUPAC name of 2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]pyridazin-3-one (CID 126934512) is 2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]pyridazin-3-one?
The canonical SMILES for 2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]pyridazin-3-one is O=c1cccnn1C1CCC(Nc2ncnc3ccc(F)cc23)CC1.
What is the InChIKey of 2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]pyridazin-3-one?
The InChIKey is QQDBCIBKRXODMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c19-12-3-8-16-15(10-12)18(21-11-20-16)23-13-4-6-14(7-5-13)24-17(25)2-1-9-22-24/h1-3,8-11,13-14H,4-7H2,(H,20,21,23).
What are the key properties of 2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]pyridazin-3-one?
2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]pyridazin-3-one has a molecular weight of 339.37 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126934512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).