5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methylpentanamide

C14H18N4O3 — CID 62933997

IUPAC5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methylpentanamide
SMILESCC(CC(N)=O)CC(N)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C14H18N4O3/c1-7(5-12(16)19)4-9(15)8-2-3-10-11(6-8)18-14(21)13(20)17-10/h2-3,6-7,9H,4-5,15H2,1H3,(H2,16,19)(H,17,20)(H,18,21)
InChIKeyUALWYKFVHKNGHV-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.12
Rot. Bonds5

About 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methylpentanamide

5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methylpentanamide (PubChem CID 62933997) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methylpentanamide.

Molecular Properties

Compound Name5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methylpentanamide
PubChem CID62933997
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methylpentanamide
SMILESCC(CC(N)=O)CC(N)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C14H18N4O3/c1-7(5-12(16)19)4-9(15)8-2-3-10-11(6-8)18-14(21)13(20)17-10/h2-3,6-7,9H,4-5,15H2,1H3,(H2,16,19)(H,17,20)(H,18,21)
InChIKeyUALWYKFVHKNGHV-UHFFFAOYSA-N
XLogP0.12
TPSA134.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methylpentanamide with MolForge

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Related Compounds

5-amino-3-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide
CID 62935017
5-amino-3-methyl-5-(4-methylphenyl)pentanamide
CID 62934157
5-(1-amino-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one
CID 43186846
5-amino-5-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-methylpentanamide
CID 62941476
methyl 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanoate
CID 60860320
5-amino-5-(3-bromo-4-methoxyphenyl)-3-methylpentanamide
CID 62941286
6-(1-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione
CID 61088243
2-amino-2-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetic acid
CID 82389538
5-(1-amino-3,4,4-trimethylpentyl)-1,3-dihydrobenzimidazol-2-one
CID 55260322
4-amino-2,2-dimethyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 65298571
5-amino-3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]pentanamide
CID 66259950
3-amino-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)butanamide
CID 60836174

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methylpentanamide?
The IUPAC name of 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methylpentanamide (CID 62933997) is 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methylpentanamide.
What is the SMILES notation for 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methylpentanamide?
The canonical SMILES for 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methylpentanamide is CC(CC(N)=O)CC(N)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methylpentanamide?
The InChIKey is UALWYKFVHKNGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-7(5-12(16)19)4-9(15)8-2-3-10-11(6-8)18-14(21)13(20)17-10/h2-3,6-7,9H,4-5,15H2,1H3,(H2,16,19)(H,17,20)(H,18,21).
What are the key properties of 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methylpentanamide?
5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methylpentanamide has a molecular weight of 290.32 g/mol, XLogP of 0.12, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methylpentanamide is sourced from PubChem (CID 62933997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).