N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide

C17H17N5O3 — CID 121059111

IUPACN-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCc1ccc(=O)n(CCNC(=O)Cn2cnc3ccccc3c2=O)n1
InChIInChI=1S/C17H17N5O3/c1-12-6-7-16(24)22(20-12)9-8-18-15(23)10-21-11-19-14-5-3-2-4-13(14)17(21)25/h2-7,11H,8-10H2,1H3,(H,18,23)
InChIKeyINXQWQNFOJJWSJ-UHFFFAOYSA-N
MW339.36 g/mol
LogP0.08
Rot. Bonds5

About N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 121059111) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID121059111
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC NameN-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCc1ccc(=O)n(CCNC(=O)Cn2cnc3ccccc3c2=O)n1
InChIInChI=1S/C17H17N5O3/c1-12-6-7-16(24)22(20-12)9-8-18-15(23)10-21-11-19-14-5-3-2-4-13(14)17(21)25/h2-7,11H,8-10H2,1H3,(H,18,23)
InChIKeyINXQWQNFOJJWSJ-UHFFFAOYSA-N
XLogP0.08
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121059005
N-butyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 2286297
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 121169618
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide
CID 7969443
2-(4-oxoquinazolin-3-yl)-N-(3-phenylbutyl)acetamide
CID 51103841
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121033306
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 121059030
N-(4,6-dimethylpyrimidin-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 155294773
N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 91818526
N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 32957981
2-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 17432997

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 121059111) is N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide is Cc1ccc(=O)n(CCNC(=O)Cn2cnc3ccccc3c2=O)n1.
What is the InChIKey of N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is INXQWQNFOJJWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-12-6-7-16(24)22(20-12)9-8-18-15(23)10-21-11-19-14-5-3-2-4-13(14)17(21)25/h2-7,11H,8-10H2,1H3,(H,18,23).
What are the key properties of N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 339.36 g/mol, XLogP of 0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 121059111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).