4-[2-(dimethylamino)ethyl]-N-propyl-2,3-dihydroquinoxaline-1-carboxamide

C16H26N4O — CID 110358714

IUPAC4-[2-(dimethylamino)ethyl]-N-propyl-2,3-dihydroquinoxaline-1-carboxamide
SMILESCCCNC(=O)N1CCN(CCN(C)C)c2ccccc21
InChIInChI=1S/C16H26N4O/c1-4-9-17-16(21)20-13-12-19(11-10-18(2)3)14-7-5-6-8-15(14)20/h5-8H,4,9-13H2,1-3H3,(H,17,21)
InChIKeyDVFHWOGRCYTIMF-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.99
Rot. Bonds5

About 4-[2-(dimethylamino)ethyl]-N-propyl-2,3-dihydroquinoxaline-1-carboxamide

4-[2-(dimethylamino)ethyl]-N-propyl-2,3-dihydroquinoxaline-1-carboxamide (PubChem CID 110358714) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-N-propyl-2,3-dihydroquinoxaline-1-carboxamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-N-propyl-2,3-dihydroquinoxaline-1-carboxamide
PubChem CID110358714
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name4-[2-(dimethylamino)ethyl]-N-propyl-2,3-dihydroquinoxaline-1-carboxamide
SMILESCCCNC(=O)N1CCN(CCN(C)C)c2ccccc21
InChIInChI=1S/C16H26N4O/c1-4-9-17-16(21)20-13-12-19(11-10-18(2)3)14-7-5-6-8-15(14)20/h5-8H,4,9-13H2,1-3H3,(H,17,21)
InChIKeyDVFHWOGRCYTIMF-UHFFFAOYSA-N
XLogP1.99
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 110355201
4-methyl-N-propyl-2,3-dihydroquinoxaline-1-carboxamide
CID 110747567
1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-3,3-dimethylbutan-1-one
CID 110417885
4-propan-2-yl-N-propyl-2,3-dihydroquinoxaline-1-carboxamide
CID 110669824
[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-pyridin-4-ylmethanone
CID 84512347
(2,6-dimethoxyphenyl)-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]methanone
CID 110358672
1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-5-phenylpentane-1,5-dione
CID 110355198
1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-(4-fluorophenyl)ethanone
CID 110358678
N-ethyl-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
CID 115683493
5-(methylamino)-N-propyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 114335860
1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]butan-1-one
CID 110361424
2-(4-cyclopentylsulfonyl-2,3-dihydroquinoxalin-1-yl)-N,N-dimethylethanamine
CID 110356877

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-N-propyl-2,3-dihydroquinoxaline-1-carboxamide?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-N-propyl-2,3-dihydroquinoxaline-1-carboxamide (CID 110358714) is 4-[2-(dimethylamino)ethyl]-N-propyl-2,3-dihydroquinoxaline-1-carboxamide.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-N-propyl-2,3-dihydroquinoxaline-1-carboxamide?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-N-propyl-2,3-dihydroquinoxaline-1-carboxamide is CCCNC(=O)N1CCN(CCN(C)C)c2ccccc21.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-N-propyl-2,3-dihydroquinoxaline-1-carboxamide?
The InChIKey is DVFHWOGRCYTIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-9-17-16(21)20-13-12-19(11-10-18(2)3)14-7-5-6-8-15(14)20/h5-8H,4,9-13H2,1-3H3,(H,17,21).
What are the key properties of 4-[2-(dimethylamino)ethyl]-N-propyl-2,3-dihydroquinoxaline-1-carboxamide?
4-[2-(dimethylamino)ethyl]-N-propyl-2,3-dihydroquinoxaline-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-N-propyl-2,3-dihydroquinoxaline-1-carboxamide is sourced from PubChem (CID 110358714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).