N-[4-(cyanomethoxy)phenyl]-2,3-diethylquinoxaline-6-carboxamide

C21H20N4O2 — CID 30662859

IUPACN-[4-(cyanomethoxy)phenyl]-2,3-diethylquinoxaline-6-carboxamide
SMILESCCc1nc2ccc(C(=O)Nc3ccc(OCC#N)cc3)cc2nc1CC
InChIInChI=1S/C21H20N4O2/c1-3-17-18(4-2)25-20-13-14(5-10-19(20)24-17)21(26)23-15-6-8-16(9-7-15)27-12-11-22/h5-10,13H,3-4,12H2,1-2H3,(H,23,26)
InChIKeyNFCGHSJARXQXAP-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.91
Rot. Bonds6

About N-[4-(cyanomethoxy)phenyl]-2,3-diethylquinoxaline-6-carboxamide

N-[4-(cyanomethoxy)phenyl]-2,3-diethylquinoxaline-6-carboxamide (PubChem CID 30662859) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[4-(cyanomethoxy)phenyl]-2,3-diethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[4-(cyanomethoxy)phenyl]-2,3-diethylquinoxaline-6-carboxamide
PubChem CID30662859
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-[4-(cyanomethoxy)phenyl]-2,3-diethylquinoxaline-6-carboxamide
SMILESCCc1nc2ccc(C(=O)Nc3ccc(OCC#N)cc3)cc2nc1CC
InChIInChI=1S/C21H20N4O2/c1-3-17-18(4-2)25-20-13-14(5-10-19(20)24-17)21(26)23-15-6-8-16(9-7-15)27-12-11-22/h5-10,13H,3-4,12H2,1-2H3,(H,23,26)
InChIKeyNFCGHSJARXQXAP-UHFFFAOYSA-N
XLogP3.91
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(cyanomethoxy)phenyl]-2,3-diethylquinoxaline-6-carboxamide 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

4-(carbamoylamino)-N-[4-(cyanomethoxy)phenyl]benzamide
CID 26114223
N-[4-(cyanomethoxy)phenyl]-3-hydroxy-4-methylbenzamide
CID 43369113
3,5-dibromo-N-[4-(cyanomethoxy)phenyl]benzamide
CID 103907443
4-bromo-N-[4-(cyanomethoxy)phenyl]-3-methylbenzamide
CID 115769505
3-chloro-N-[4-(cyanomethoxy)phenyl]benzamide
CID 30874096
4-bromo-N-[4-(cyanomethoxy)phenyl]-3-hydroxybenzamide
CID 103956272
N-[4-(cyanomethoxy)phenyl]-4-(phenylcarbamoylamino)benzamide
CID 55372952
N-[4-(cyanomethoxy)phenyl]-3,5-dihydroxybenzamide
CID 107703130
3-bromo-4-chloro-N-[4-(cyanomethoxy)phenyl]benzamide
CID 103841565
N-[4-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 61058980
N-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide
CID 43369186
N-[4-(cyanomethoxy)phenyl]-3-fluoro-5-methylbenzamide
CID 115659773

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethoxy)phenyl]-2,3-diethylquinoxaline-6-carboxamide?
The IUPAC name of N-[4-(cyanomethoxy)phenyl]-2,3-diethylquinoxaline-6-carboxamide (CID 30662859) is N-[4-(cyanomethoxy)phenyl]-2,3-diethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[4-(cyanomethoxy)phenyl]-2,3-diethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[4-(cyanomethoxy)phenyl]-2,3-diethylquinoxaline-6-carboxamide is CCc1nc2ccc(C(=O)Nc3ccc(OCC#N)cc3)cc2nc1CC.
What is the InChIKey of N-[4-(cyanomethoxy)phenyl]-2,3-diethylquinoxaline-6-carboxamide?
The InChIKey is NFCGHSJARXQXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-3-17-18(4-2)25-20-13-14(5-10-19(20)24-17)21(26)23-15-6-8-16(9-7-15)27-12-11-22/h5-10,13H,3-4,12H2,1-2H3,(H,23,26).
What are the key properties of N-[4-(cyanomethoxy)phenyl]-2,3-diethylquinoxaline-6-carboxamide?
N-[4-(cyanomethoxy)phenyl]-2,3-diethylquinoxaline-6-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethoxy)phenyl]-2,3-diethylquinoxaline-6-carboxamide is sourced from PubChem (CID 30662859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).