2-[(1-cyano-4-oxoquinolizin-3-yl)amino]-N-(2-methoxyethyl)acetamide

C15H16N4O3 — CID 44782660

IUPAC2-[(1-cyano-4-oxoquinolizin-3-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1cc(C#N)c2ccccn2c1=O
InChIInChI=1S/C15H16N4O3/c1-22-7-5-17-14(20)10-18-12-8-11(9-16)13-4-2-3-6-19(13)15(12)21/h2-4,6,8,18H,5,7,10H2,1H3,(H,17,20)
InChIKeyABHKBWQIRKYSRB-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.35
Rot. Bonds6

About 2-[(1-cyano-4-oxoquinolizin-3-yl)amino]-N-(2-methoxyethyl)acetamide

2-[(1-cyano-4-oxoquinolizin-3-yl)amino]-N-(2-methoxyethyl)acetamide (PubChem CID 44782660) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-[(1-cyano-4-oxoquinolizin-3-yl)amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(1-cyano-4-oxoquinolizin-3-yl)amino]-N-(2-methoxyethyl)acetamide
PubChem CID44782660
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name2-[(1-cyano-4-oxoquinolizin-3-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1cc(C#N)c2ccccn2c1=O
InChIInChI=1S/C15H16N4O3/c1-22-7-5-17-14(20)10-18-12-8-11(9-16)13-4-2-3-6-19(13)15(12)21/h2-4,6,8,18H,5,7,10H2,1H3,(H,17,20)
InChIKeyABHKBWQIRKYSRB-UHFFFAOYSA-N
XLogP0.35
TPSA95.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyano-4-oxoquinolizin-3-yl)amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(1-cyano-4-oxoquinolizin-3-yl)amino]-N-(2-methoxyethyl)acetamide (CID 44782660) is 2-[(1-cyano-4-oxoquinolizin-3-yl)amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(1-cyano-4-oxoquinolizin-3-yl)amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(1-cyano-4-oxoquinolizin-3-yl)amino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNc1cc(C#N)c2ccccn2c1=O.
What is the InChIKey of 2-[(1-cyano-4-oxoquinolizin-3-yl)amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is ABHKBWQIRKYSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-22-7-5-17-14(20)10-18-12-8-11(9-16)13-4-2-3-6-19(13)15(12)21/h2-4,6,8,18H,5,7,10H2,1H3,(H,17,20).
What are the key properties of 2-[(1-cyano-4-oxoquinolizin-3-yl)amino]-N-(2-methoxyethyl)acetamide?
2-[(1-cyano-4-oxoquinolizin-3-yl)amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 300.32 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyano-4-oxoquinolizin-3-yl)amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 44782660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).