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

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

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

Launch Full Analysis

Related Compounds

(E)-4-amino-N-(4-amino-3-cyano-7-ethoxy-2-ethylquinolin-6-yl)but-2-enamide
CID 177179665
(E)-4-chloro-N-[4-(3-chloro-4-methoxyanilino)-3-cyano-7-ethoxy-2-ethylquinolin-6-yl]but-2-enamide
CID 177179315
N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxy-2-ethylquinolin-6-yl]prop-2-enamide
CID 177179623
(E)-N-[4-(3-chloro-4-methoxyphenoxy)-3-cyano-7-ethoxy-2-ethylquinolin-6-yl]-4-(4-methylpiperazin-1-yl)but-2-enamide
CID 177179327
(E)-N-[3-cyano-7-ethoxy-2-ethyl-4-(4-methoxy-3-methylphenoxy)quinolin-6-yl]-4-(dimethylamino)but-2-enamide
CID 177179212
(E)-N-[4-[4-[(E)-3-amino-2-(methyliminomethyl)prop-2-enoxy]-3-chloroanilino]-3-cyano-7-ethoxy-2-ethylquinolin-6-yl]-4-(dimethylamino)but-2-enamide
CID 177179443
N-(7-ethoxyquinolin-6-yl)acetamide
CID 174923563
4-chloro-7-ethoxy-6-(1-hydroxyethylamino)quinoline-3-carbonitrile
CID 143338014
(E)-N-[4-[3-chloro-4-[[6-(oxan-4-yl)-3-pyridinyl]methoxy]anilino]-3-cyano-7-ethoxy-2-ethylquinolin-6-yl]but-2-enamide
CID 177179634
(E)-4-chloro-N-[3-cyano-7-ethoxy-2-ethyl-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinolin-6-yl]but-2-enamide
CID 177179278
(E)-N-[3-cyano-7-ethoxy-2-ethyl-4-[(1-ethylindazol-5-yl)amino]quinolin-6-yl]-4-piperazin-1-ylbut-2-enamide
CID 177179110
4-acetyl-2-chloro-6-ethoxybenzonitrile
CID 171001469

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).