N-[3-(diethylamino)propyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide

C20H30N4O2 — CID 50768123

IUPACN-[3-(diethylamino)propyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
SMILESCCN(CC)CCCNC(=O)Cn1c(=O)c(C)nc2cc(C)c(C)cc21
InChIInChI=1S/C20H30N4O2/c1-6-23(7-2)10-8-9-21-19(25)13-24-18-12-15(4)14(3)11-17(18)22-16(5)20(24)26/h11-12H,6-10,13H2,1-5H3,(H,21,25)
InChIKeyYFDRTHBRYUVNQZ-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.17
Rot. Bonds8

About N-[3-(diethylamino)propyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide

N-[3-(diethylamino)propyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide (PubChem CID 50768123) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
PubChem CID50768123
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-[3-(diethylamino)propyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
SMILESCCN(CC)CCCNC(=O)Cn1c(=O)c(C)nc2cc(C)c(C)cc21
InChIInChI=1S/C20H30N4O2/c1-6-23(7-2)10-8-9-21-19(25)13-24-18-12-15(4)14(3)11-17(18)22-16(5)20(24)26/h11-12H,6-10,13H2,1-5H3,(H,21,25)
InChIKeyYFDRTHBRYUVNQZ-UHFFFAOYSA-N
XLogP2.17
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(diethylamino)propyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 46295469
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
CID 46295540
N-[2-(4-sulfamoylphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
CID 50768093
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
CID 46295554
N-propyl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028516
N-[3-(diethylamino)propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46356945
N-(3-ethoxypropyl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028528
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
CID 50768130
2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methoxyethyl)acetamide
CID 50761211
N-[3-(diethylamino)propyl]-2-(4-methyl-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)acetamide
CID 20884483
N-(4-phenylbutan-2-yl)-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
CID 50768186
N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324603

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide (CID 50768123) is N-[3-(diethylamino)propyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide is CCN(CC)CCCNC(=O)Cn1c(=O)c(C)nc2cc(C)c(C)cc21.
What is the InChIKey of N-[3-(diethylamino)propyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is YFDRTHBRYUVNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-6-23(7-2)10-8-9-21-19(25)13-24-18-12-15(4)14(3)11-17(18)22-16(5)20(24)26/h11-12H,6-10,13H2,1-5H3,(H,21,25).
What are the key properties of N-[3-(diethylamino)propyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide?
N-[3-(diethylamino)propyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 358.49 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 50768123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).