2-[ethyl-[(4-methyl-3-oxoquinoxalin-2-yl)methyl]amino]acetonitrile

C14H16N4O — CID 86774557

IUPAC2-[ethyl-[(4-methyl-3-oxoquinoxalin-2-yl)methyl]amino]acetonitrile
SMILESCCN(CC#N)Cc1nc2ccccc2n(C)c1=O
InChIInChI=1S/C14H16N4O/c1-3-18(9-8-15)10-12-14(19)17(2)13-7-5-4-6-11(13)16-12/h4-7H,3,9-10H2,1-2H3
InChIKeyVKHADFCDCZXOJK-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.28
Rot. Bonds4

About 2-[ethyl-[(4-methyl-3-oxoquinoxalin-2-yl)methyl]amino]acetonitrile

2-[ethyl-[(4-methyl-3-oxoquinoxalin-2-yl)methyl]amino]acetonitrile (PubChem CID 86774557) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[ethyl-[(4-methyl-3-oxoquinoxalin-2-yl)methyl]amino]acetonitrile.

Molecular Properties

Compound Name2-[ethyl-[(4-methyl-3-oxoquinoxalin-2-yl)methyl]amino]acetonitrile
PubChem CID86774557
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-[ethyl-[(4-methyl-3-oxoquinoxalin-2-yl)methyl]amino]acetonitrile
SMILESCCN(CC#N)Cc1nc2ccccc2n(C)c1=O
InChIInChI=1S/C14H16N4O/c1-3-18(9-8-15)10-12-14(19)17(2)13-7-5-4-6-11(13)16-12/h4-7H,3,9-10H2,1-2H3
InChIKeyVKHADFCDCZXOJK-UHFFFAOYSA-N
XLogP1.28
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-1-methylquinoxalin-2-one
CID 1471092
3-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-1-methylquinoxalin-2-one
CID 86774514
3-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-1-methylquinoxalin-2-one
CID 86774510
N-benzyl-N-methyl-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
CID 110205815
(Z)-4-(N-ethylanilino)-3-hydroxy-2-(1-methylbenzimidazol-2-yl)but-2-enenitrile
CID 135678661
3-methyl-2-(1-methylbenzimidazol-2-yl)but-2-enenitrile
CID 4181267
3-diethoxyphosphoryl-1-methylquinoxalin-2-one
CID 88586704
2-[2-[[butyl(ethyl)amino]methyl]benzimidazol-1-yl]acetonitrile
CID 82311127
3-[2-(diethylaminomethyl)benzimidazol-1-yl]propanoic acid
CID 82310964
3-ethenyl-1-methylquinoxalin-2-one
CID 174761373
3-hydroxy-4-methyl-2-(1-methylbenzimidazol-2-yl)pent-2-enenitrile
CID 5051221
1-[2-(diethylamino)ethyl]benzimidazol-2-amine
CID 559474

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(4-methyl-3-oxoquinoxalin-2-yl)methyl]amino]acetonitrile?
The IUPAC name of 2-[ethyl-[(4-methyl-3-oxoquinoxalin-2-yl)methyl]amino]acetonitrile (CID 86774557) is 2-[ethyl-[(4-methyl-3-oxoquinoxalin-2-yl)methyl]amino]acetonitrile.
What is the SMILES notation for 2-[ethyl-[(4-methyl-3-oxoquinoxalin-2-yl)methyl]amino]acetonitrile?
The canonical SMILES for 2-[ethyl-[(4-methyl-3-oxoquinoxalin-2-yl)methyl]amino]acetonitrile is CCN(CC#N)Cc1nc2ccccc2n(C)c1=O.
What is the InChIKey of 2-[ethyl-[(4-methyl-3-oxoquinoxalin-2-yl)methyl]amino]acetonitrile?
The InChIKey is VKHADFCDCZXOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-3-18(9-8-15)10-12-14(19)17(2)13-7-5-4-6-11(13)16-12/h4-7H,3,9-10H2,1-2H3.
What are the key properties of 2-[ethyl-[(4-methyl-3-oxoquinoxalin-2-yl)methyl]amino]acetonitrile?
2-[ethyl-[(4-methyl-3-oxoquinoxalin-2-yl)methyl]amino]acetonitrile has a molecular weight of 256.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(4-methyl-3-oxoquinoxalin-2-yl)methyl]amino]acetonitrile is sourced from PubChem (CID 86774557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).