N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide

C22H26N4O2 — CID 31563164

IUPACN-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
SMILESCCn1c(=O)c(C)nc2cc(C(=O)NCc3ccccc3CN(C)C)ccc21
InChIInChI=1S/C22H26N4O2/c1-5-26-20-11-10-16(12-19(20)24-15(2)22(26)28)21(27)23-13-17-8-6-7-9-18(17)14-25(3)4/h6-12H,5,13-14H2,1-4H3,(H,23,27)
InChIKeyBCPOPXFKNDJFDP-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.72
Rot. Bonds6

About N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide (PubChem CID 31563164) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
PubChem CID31563164
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
SMILESCCn1c(=O)c(C)nc2cc(C(=O)NCc3ccccc3CN(C)C)ccc21
InChIInChI=1S/C22H26N4O2/c1-5-26-20-11-10-16(12-19(20)24-15(2)22(26)28)21(27)23-13-17-8-6-7-9-18(17)14-25(3)4/h6-12H,5,13-14H2,1-4H3,(H,23,27)
InChIKeyBCPOPXFKNDJFDP-UHFFFAOYSA-N
XLogP2.72
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide with MolForge

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Related Compounds

4-[4-[3-(5-amino-7-fluoro-1-oxo-2H-isoquinolin-3-yl)propyl]piperazin-1-yl]benzamide
CID 126483567
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CID 126483601
3-benzamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide
CID 155664130
N,N'-(9,10-dioxo-9,10-dihydroanthracene-2,7-diyl)bis[2-(dimethylamino)acetamide]
CID 44568710
3-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)phthalazine-1-carboxamide
CID 2714733
3-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4877802
6-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)quinoxaline-2,3(1H,4H)-dione
CID 17583730
N,N-diethyl-4-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide
CID 1306519
2-(ethylamino)-N-[6-[[2-(ethylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide
CID 355146
2-Dimethylamino-N-(5-ethyl-6-oxo-5,6-dihydro-phenanthridin-9-yl)-acetamide
CID 10041884
4-(N-Methyl-N-phenylamino)-5-anilino-phthalimide
CID 10066030
3-Hydroxy-benzo[a]phenazine-11-carboxylic acid (2-dimethylamino-ethyl)-amide
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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide?
The IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide (CID 31563164) is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide is CCn1c(=O)c(C)nc2cc(C(=O)NCc3ccccc3CN(C)C)ccc21.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide?
The InChIKey is BCPOPXFKNDJFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-5-26-20-11-10-16(12-19(20)24-15(2)22(26)28)21(27)23-13-17-8-6-7-9-18(17)14-25(3)4/h6-12H,5,13-14H2,1-4H3,(H,23,27).
What are the key properties of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide?
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide is sourced from PubChem (CID 31563164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).