N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

C14H20N4O2 — CID 104614869

IUPACN-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESCN(C)C(=O)CCNC(=O)c1ccc2c(c1)NCCN2
InChIInChI=1S/C14H20N4O2/c1-18(2)13(19)5-6-17-14(20)10-3-4-11-12(9-10)16-8-7-15-11/h3-4,9,15-16H,5-8H2,1-2H3,(H,17,20)
InChIKeyGMCZTMDOWBVVDK-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.73
Rot. Bonds4

About N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (PubChem CID 104614869) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
PubChem CID104614869
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESCN(C)C(=O)CCNC(=O)c1ccc2c(c1)NCCN2
InChIInChI=1S/C14H20N4O2/c1-18(2)13(19)5-6-17-14(20)10-3-4-11-12(9-10)16-8-7-15-11/h3-4,9,15-16H,5-8H2,1-2H3,(H,17,20)
InChIKeyGMCZTMDOWBVVDK-UHFFFAOYSA-N
XLogP0.73
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60926593
N-[2-[cyclopropyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614971
N-[3-(dimethylamino)-3-oxopropyl]-3,4-dihydroxybenzamide
CID 103955611
N-[2-oxo-2-(propylamino)ethyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614609
2-(1,2,3,4-tetrahydroquinoxaline-6-carbonylamino)ethyl carbamate
CID 104615254
N-[3-(methylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 55118334
4-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide;hydrochloride
CID 119731255
3-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide
CID 54937953
N-benzyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614366
N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 62641149
N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614995
N-butan-2-yl-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614557

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (CID 104614869) is N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is CN(C)C(=O)CCNC(=O)c1ccc2c(c1)NCCN2.
What is the InChIKey of N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The InChIKey is GMCZTMDOWBVVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-18(2)13(19)5-6-17-14(20)10-3-4-11-12(9-10)16-8-7-15-11/h3-4,9,15-16H,5-8H2,1-2H3,(H,17,20).
What are the key properties of N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is sourced from PubChem (CID 104614869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).