N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide

C14H17N5O — CID 107356078

IUPACN-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
SMILESO=C(NCCn1ccnc1)C1CNc2ccccc2N1
InChIInChI=1S/C14H17N5O/c20-14(16-6-8-19-7-5-15-10-19)13-9-17-11-3-1-2-4-12(11)18-13/h1-5,7,10,13,17-18H,6,8-9H2,(H,16,20)
InChIKeyJSCROKCROKFZRC-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.91
Rot. Bonds4

About N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide

N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide (PubChem CID 107356078) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
PubChem CID107356078
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
SMILESO=C(NCCn1ccnc1)C1CNc2ccccc2N1
InChIInChI=1S/C14H17N5O/c20-14(16-6-8-19-7-5-15-10-19)13-9-17-11-3-1-2-4-12(11)18-13/h1-5,7,10,13,17-18H,6,8-9H2,(H,16,20)
InChIKeyJSCROKCROKFZRC-UHFFFAOYSA-N
XLogP0.91
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-imidazol-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 61324510
N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262248
N-[2-[ethyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356183
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-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356184
N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide
CID 43112147
N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide
CID 61375960
(3R,5S)-3-N-(2-imidazol-1-ylethyl)-5-N-(4-methylphenyl)piperidine-3,5-dicarboxamide
CID 72916190
(4S)-N-(2-imidazol-1-ylethyl)-4-phenylazepane-1-carboxamide
CID 95186692
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356189
(3S)-1-(1-benzylpiperidin-4-yl)-N-(2-imidazol-1-ylethyl)piperidine-3-carboxamide
CID 95550117

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide (CID 107356078) is N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide is O=C(NCCn1ccnc1)C1CNc2ccccc2N1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The InChIKey is JSCROKCROKFZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c20-14(16-6-8-19-7-5-15-10-19)13-9-17-11-3-1-2-4-12(11)18-13/h1-5,7,10,13,17-18H,6,8-9H2,(H,16,20).
What are the key properties of N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide is sourced from PubChem (CID 107356078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).