3-ethyl-2-methyl-5-[(4-methylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one

C18H18N6O — CID 71026405

IUPAC3-ethyl-2-methyl-5-[(4-methylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one
SMILESCCn1c(C)nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c21
InChIInChI=1S/C18H18N6O/c1-4-23-12(3)21-15-9-19-24(18(25)17(15)23)10-16-20-11(2)13-7-5-6-8-14(13)22-16/h5-9H,4,10H2,1-3H3
InChIKeyZZLPBIBSAAWYEG-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.22
Rot. Bonds3

About 3-ethyl-2-methyl-5-[(4-methylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one

3-ethyl-2-methyl-5-[(4-methylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one (PubChem CID 71026405) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-ethyl-2-methyl-5-[(4-methylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name3-ethyl-2-methyl-5-[(4-methylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one
PubChem CID71026405
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name3-ethyl-2-methyl-5-[(4-methylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one
SMILESCCn1c(C)nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c21
InChIInChI=1S/C18H18N6O/c1-4-23-12(3)21-15-9-19-24(18(25)17(15)23)10-16-20-11(2)13-7-5-6-8-14(13)22-16/h5-9H,4,10H2,1-3H3
InChIKeyZZLPBIBSAAWYEG-UHFFFAOYSA-N
XLogP2.22
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-5-[(4-methylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one?
The IUPAC name of 3-ethyl-2-methyl-5-[(4-methylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one (CID 71026405) is 3-ethyl-2-methyl-5-[(4-methylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 3-ethyl-2-methyl-5-[(4-methylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one?
The canonical SMILES for 3-ethyl-2-methyl-5-[(4-methylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one is CCn1c(C)nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c21.
What is the InChIKey of 3-ethyl-2-methyl-5-[(4-methylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one?
The InChIKey is ZZLPBIBSAAWYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-4-23-12(3)21-15-9-19-24(18(25)17(15)23)10-16-20-11(2)13-7-5-6-8-14(13)22-16/h5-9H,4,10H2,1-3H3.
What are the key properties of 3-ethyl-2-methyl-5-[(4-methylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one?
3-ethyl-2-methyl-5-[(4-methylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one has a molecular weight of 334.38 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-5-[(4-methylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 71026405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).