N-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide

C14H18N4O — CID 104615463

IUPACN-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide
SMILESCC(C)NCCNC(=O)c1cccc2nccnc12
InChIInChI=1S/C14H18N4O/c1-10(2)15-6-9-18-14(19)11-4-3-5-12-13(11)17-8-7-16-12/h3-5,7-8,10,15H,6,9H2,1-2H3,(H,18,19)
InChIKeyZCRLKSLZZQABKN-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.36
Rot. Bonds5

About N-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide

N-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide (PubChem CID 104615463) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide
PubChem CID104615463
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide
SMILESCC(C)NCCNC(=O)c1cccc2nccnc12
InChIInChI=1S/C14H18N4O/c1-10(2)15-6-9-18-14(19)11-4-3-5-12-13(11)17-8-7-16-12/h3-5,7-8,10,15H,6,9H2,1-2H3,(H,18,19)
InChIKeyZCRLKSLZZQABKN-UHFFFAOYSA-N
XLogP1.36
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorobutyl)quinoxaline-5-carboxamide
CID 104615743
N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide
CID 74240949
N-(2-hydroxy-3-methylbutyl)quinoxaline-5-carboxamide
CID 104580610
2-(quinoxaline-5-carbonylamino)ethyl acetate
CID 150834987
N-[3-(ethylamino)propyl]quinoxaline-5-carboxamide
CID 104615443
N-(cyanomethyl)quinoxaline-5-carboxamide
CID 104580010
N-pent-4-ynylquinoxaline-5-carboxamide
CID 113428882
N-(3-bromo-4-methoxybutyl)quinoxaline-5-carboxamide
CID 106245167
N-butan-2-ylquinoxaline-5-carboxamide
CID 110701330
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]quinoxaline-5-carboxamide
CID 104615583
2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657877
N-(2-methylpropoxy)quinoxaline-5-carboxamide
CID 104578317

Frequently Asked Questions

What is the IUPAC name of N-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide?
The IUPAC name of N-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide (CID 104615463) is N-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide.
What is the SMILES notation for N-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide?
The canonical SMILES for N-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide is CC(C)NCCNC(=O)c1cccc2nccnc12.
What is the InChIKey of N-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide?
The InChIKey is ZCRLKSLZZQABKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10(2)15-6-9-18-14(19)11-4-3-5-12-13(11)17-8-7-16-12/h3-5,7-8,10,15H,6,9H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide?
N-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 104615463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).