N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylquinoxaline-2-carboxamide

C14H17N5O2 — CID 107356587

IUPACN-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylquinoxaline-2-carboxamide
SMILESCC(C)N(C/C(N)=N/O)C(=O)c1cnc2ccccc2n1
InChIInChI=1S/C14H17N5O2/c1-9(2)19(8-13(15)18-21)14(20)12-7-16-10-5-3-4-6-11(10)17-12/h3-7,9,21H,8H2,1-2H3,(H2,15,18)
InChIKeyBEHMFNIHFMWNKP-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.23
Rot. Bonds4

About N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylquinoxaline-2-carboxamide

N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylquinoxaline-2-carboxamide (PubChem CID 107356587) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylquinoxaline-2-carboxamide
PubChem CID107356587
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylquinoxaline-2-carboxamide
SMILESCC(C)N(C/C(N)=N/O)C(=O)c1cnc2ccccc2n1
InChIInChI=1S/C14H17N5O2/c1-9(2)19(8-13(15)18-21)14(20)12-7-16-10-5-3-4-6-11(10)17-12/h3-7,9,21H,8H2,1-2H3,(H2,15,18)
InChIKeyBEHMFNIHFMWNKP-UHFFFAOYSA-N
XLogP1.23
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylquinoxaline-2-carboxamide with MolForge

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Related Compounds

N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methylquinoxaline-2-carboxamide
CID 107356576
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylpyridazine-4-carboxamide
CID 104672040
N-(2-amino-2-hydroxyiminoethyl)-2,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide
CID 77044978
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-methoxy-N-propan-2-ylpyridine-4-carboxamide
CID 105064326
N-(2-amino-2-hydroxyiminoethyl)-3-chloro-N-propan-2-ylpyridine-4-carboxamide
CID 77135187
2-amino-1-quinoxalin-2-ylpropan-1-one
CID 84670100
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]quinoxaline-2-carboxamide
CID 107356568
N-(2-aminopropyl)quinoxaline-2-carboxamide
CID 107356511
N-(3-aminopropyl)-N-methylquinoxaline-2-carboxamide
CID 113265814
N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]quinoxaline-2-carboxamide
CID 107356567
6-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]pyridine-2-carboxylic acid
CID 55125535
N-(2-methylpropyl)quinoxaline-2-carboxamide
CID 32978197

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylquinoxaline-2-carboxamide?
The IUPAC name of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylquinoxaline-2-carboxamide (CID 107356587) is N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylquinoxaline-2-carboxamide.
What is the SMILES notation for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylquinoxaline-2-carboxamide?
The canonical SMILES for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylquinoxaline-2-carboxamide is CC(C)N(C/C(N)=N/O)C(=O)c1cnc2ccccc2n1.
What is the InChIKey of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylquinoxaline-2-carboxamide?
The InChIKey is BEHMFNIHFMWNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9(2)19(8-13(15)18-21)14(20)12-7-16-10-5-3-4-6-11(10)17-12/h3-7,9,21H,8H2,1-2H3,(H2,15,18).
What are the key properties of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylquinoxaline-2-carboxamide?
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylquinoxaline-2-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylquinoxaline-2-carboxamide is sourced from PubChem (CID 107356587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).