(5,7-diacetamido-2-methylquinolin-8-yl) acetate

C16H17N3O4 — CID 10805264

IUPAC(5,7-diacetamido-2-methylquinolin-8-yl) acetate
SMILESCC(=O)Nc1cc(NC(C)=O)c2ccc(C)nc2c1OC(C)=O
InChIInChI=1S/C16H17N3O4/c1-8-5-6-12-13(18-9(2)20)7-14(19-10(3)21)16(15(12)17-8)23-11(4)22/h5-7H,1-4H3,(H,18,20)(H,19,21)
InChIKeySBFLMBQZVQVJPP-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.39
Rot. Bonds3

About (5,7-diacetamido-2-methylquinolin-8-yl) acetate

(5,7-diacetamido-2-methylquinolin-8-yl) acetate (PubChem CID 10805264) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is (5,7-diacetamido-2-methylquinolin-8-yl) acetate.

Molecular Properties

Compound Name(5,7-diacetamido-2-methylquinolin-8-yl) acetate
PubChem CID10805264
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name(5,7-diacetamido-2-methylquinolin-8-yl) acetate
SMILESCC(=O)Nc1cc(NC(C)=O)c2ccc(C)nc2c1OC(C)=O
InChIInChI=1S/C16H17N3O4/c1-8-5-6-12-13(18-9(2)20)7-14(19-10(3)21)16(15(12)17-8)23-11(4)22/h5-7H,1-4H3,(H,18,20)(H,19,21)
InChIKeySBFLMBQZVQVJPP-UHFFFAOYSA-N
XLogP2.39
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5,7-diacetamido-2-methylquinolin-8-yl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5,7-diacetamido-2-methylquinolin-8-yl) acetate?
The IUPAC name of (5,7-diacetamido-2-methylquinolin-8-yl) acetate (CID 10805264) is (5,7-diacetamido-2-methylquinolin-8-yl) acetate.
What is the SMILES notation for (5,7-diacetamido-2-methylquinolin-8-yl) acetate?
The canonical SMILES for (5,7-diacetamido-2-methylquinolin-8-yl) acetate is CC(=O)Nc1cc(NC(C)=O)c2ccc(C)nc2c1OC(C)=O.
What is the InChIKey of (5,7-diacetamido-2-methylquinolin-8-yl) acetate?
The InChIKey is SBFLMBQZVQVJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-8-5-6-12-13(18-9(2)20)7-14(19-10(3)21)16(15(12)17-8)23-11(4)22/h5-7H,1-4H3,(H,18,20)(H,19,21).
What are the key properties of (5,7-diacetamido-2-methylquinolin-8-yl) acetate?
(5,7-diacetamido-2-methylquinolin-8-yl) acetate has a molecular weight of 315.33 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-diacetamido-2-methylquinolin-8-yl) acetate is sourced from PubChem (CID 10805264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).