N-[2-[ethyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide

C14H22N4O — CID 107356183

IUPACN-[2-[ethyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
SMILESCCN(C)CCNC(=O)C1CNc2ccccc2N1
InChIInChI=1S/C14H22N4O/c1-3-18(2)9-8-15-14(19)13-10-16-11-6-4-5-7-12(11)17-13/h4-7,13,16-17H,3,8-10H2,1-2H3,(H,15,19)
InChIKeyPSDBDQVQQQJJBO-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.96
Rot. Bonds5

About N-[2-[ethyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide

N-[2-[ethyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide (PubChem CID 107356183) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[2-[ethyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[ethyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
PubChem CID107356183
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-[2-[ethyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
SMILESCCN(C)CCNC(=O)C1CNc2ccccc2N1
InChIInChI=1S/C14H22N4O/c1-3-18(2)9-8-15-14(19)13-10-16-11-6-4-5-7-12(11)17-13/h4-7,13,16-17H,3,8-10H2,1-2H3,(H,15,19)
InChIKeyPSDBDQVQQQJJBO-UHFFFAOYSA-N
XLogP0.96
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356189
N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356184
N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76947537
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356144
N-[3-(ethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356351
N-(3-sulfamoylpropyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356148
N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356078
(2S)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 62641676
N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 62641372
N-[2-[ethyl(methyl)amino]ethyl]-5-methylpiperazine-2-carboxamide
CID 63102583
N-[2-[ethyl(methyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 78983956
(2R)-N-[2-[ethyl(methyl)amino]ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119866061

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The IUPAC name of N-[2-[ethyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide (CID 107356183) is N-[2-[ethyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide.
What is the SMILES notation for N-[2-[ethyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The canonical SMILES for N-[2-[ethyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide is CCN(C)CCNC(=O)C1CNc2ccccc2N1.
What is the InChIKey of N-[2-[ethyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The InChIKey is PSDBDQVQQQJJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-18(2)9-8-15-14(19)13-10-16-11-6-4-5-7-12(11)17-13/h4-7,13,16-17H,3,8-10H2,1-2H3,(H,15,19).
What are the key properties of N-[2-[ethyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
N-[2-[ethyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide is sourced from PubChem (CID 107356183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).