N-(4-chloro-3-cyano-7-ethoxy-2-ethylquinolin-6-yl)acetamide

C16H16ClN3O2 — CID 177179154

IUPACN-(4-chloro-3-cyano-7-ethoxy-2-ethylquinolin-6-yl)acetamide
SMILESCCOc1cc2nc(CC)c(C#N)c(Cl)c2cc1NC(C)=O
InChIInChI=1S/C16H16ClN3O2/c1-4-12-11(8-18)16(17)10-6-14(19-9(3)21)15(22-5-2)7-13(10)20-12/h6-7H,4-5H2,1-3H3,(H,19,21)
InChIKeyINCVJDWGJNGIQO-UHFFFAOYSA-N
MW317.78 g/mol
LogP3.68
Rot. Bonds4

About N-(4-chloro-3-cyano-7-ethoxy-2-ethylquinolin-6-yl)acetamide

N-(4-chloro-3-cyano-7-ethoxy-2-ethylquinolin-6-yl)acetamide (PubChem CID 177179154) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is N-(4-chloro-3-cyano-7-ethoxy-2-ethylquinolin-6-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-cyano-7-ethoxy-2-ethylquinolin-6-yl)acetamide
PubChem CID177179154
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC NameN-(4-chloro-3-cyano-7-ethoxy-2-ethylquinolin-6-yl)acetamide
SMILESCCOc1cc2nc(CC)c(C#N)c(Cl)c2cc1NC(C)=O
InChIInChI=1S/C16H16ClN3O2/c1-4-12-11(8-18)16(17)10-6-14(19-9(3)21)15(22-5-2)7-13(10)20-12/h6-7H,4-5H2,1-3H3,(H,19,21)
InChIKeyINCVJDWGJNGIQO-UHFFFAOYSA-N
XLogP3.68
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-cyano-7-ethoxy-2-ethylquinolin-6-yl)acetamide?
The IUPAC name of N-(4-chloro-3-cyano-7-ethoxy-2-ethylquinolin-6-yl)acetamide (CID 177179154) is N-(4-chloro-3-cyano-7-ethoxy-2-ethylquinolin-6-yl)acetamide.
What is the SMILES notation for N-(4-chloro-3-cyano-7-ethoxy-2-ethylquinolin-6-yl)acetamide?
The canonical SMILES for N-(4-chloro-3-cyano-7-ethoxy-2-ethylquinolin-6-yl)acetamide is CCOc1cc2nc(CC)c(C#N)c(Cl)c2cc1NC(C)=O.
What is the InChIKey of N-(4-chloro-3-cyano-7-ethoxy-2-ethylquinolin-6-yl)acetamide?
The InChIKey is INCVJDWGJNGIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-4-12-11(8-18)16(17)10-6-14(19-9(3)21)15(22-5-2)7-13(10)20-12/h6-7H,4-5H2,1-3H3,(H,19,21).
What are the key properties of N-(4-chloro-3-cyano-7-ethoxy-2-ethylquinolin-6-yl)acetamide?
N-(4-chloro-3-cyano-7-ethoxy-2-ethylquinolin-6-yl)acetamide has a molecular weight of 317.78 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-cyano-7-ethoxy-2-ethylquinolin-6-yl)acetamide is sourced from PubChem (CID 177179154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).