N-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]quinoxaline-6-carboxamide

C20H22N4O — CID 166286953

IUPACN-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]quinoxaline-6-carboxamide
SMILESCN(C)Cc1ccc(CCNC(=O)c2ccc3nccnc3c2)cc1
InChIInChI=1S/C20H22N4O/c1-24(2)14-16-5-3-15(4-6-16)9-10-23-20(25)17-7-8-18-19(13-17)22-12-11-21-18/h3-8,11-13H,9-10,14H2,1-2H3,(H,23,25)
InChIKeyASIGTGZOTJZRIH-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.66
Rot. Bonds6

About N-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]quinoxaline-6-carboxamide

N-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]quinoxaline-6-carboxamide (PubChem CID 166286953) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]quinoxaline-6-carboxamide
PubChem CID166286953
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]quinoxaline-6-carboxamide
SMILESCN(C)Cc1ccc(CCNC(=O)c2ccc3nccnc3c2)cc1
InChIInChI=1S/C20H22N4O/c1-24(2)14-16-5-3-15(4-6-16)9-10-23-20(25)17-7-8-18-19(13-17)22-12-11-21-18/h3-8,11-13H,9-10,14H2,1-2H3,(H,23,25)
InChIKeyASIGTGZOTJZRIH-UHFFFAOYSA-N
XLogP2.66
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(dimethylamino)phenyl]ethyl]quinoxaline-6-carboxamide
CID 146083370
N-(2-phenylethyl)quinoxaline-6-carboxamide
CID 858929
N-(3-bromopropyl)quinoxaline-6-carboxamide
CID 62874705
N-[2-(2-methoxyphenyl)ethyl]quinoxaline-6-carboxamide
CID 110690530
N-(2-phenylethyl)quinoline-6-carboxamide
CID 2823262
N-(4-aminopentyl)quinoxaline-6-carboxamide
CID 106122838
4-[(dimethylamino)methyl]-N-(3-hydroxypropyl)benzamide
CID 43500357
N-[2-(4-chlorophenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 110692599
N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-3H-benzimidazole-5-carboxamide
CID 155946321
N-[3-(furan-2-yl)propyl]quinoxaline-6-carboxamide
CID 74240216
N-(2-hydroxypropyl)-N-methylquinoxaline-6-carboxamide
CID 62876403
N-[2-(4-methoxyphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 110692591

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]quinoxaline-6-carboxamide (CID 166286953) is N-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]quinoxaline-6-carboxamide is CN(C)Cc1ccc(CCNC(=O)c2ccc3nccnc3c2)cc1.
What is the InChIKey of N-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]quinoxaline-6-carboxamide?
The InChIKey is ASIGTGZOTJZRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-24(2)14-16-5-3-15(4-6-16)9-10-23-20(25)17-7-8-18-19(13-17)22-12-11-21-18/h3-8,11-13H,9-10,14H2,1-2H3,(H,23,25).
What are the key properties of N-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]quinoxaline-6-carboxamide?
N-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]quinoxaline-6-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 166286953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).