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

C19H20N4O — CID 146083370

IUPACN-[2-[4-(dimethylamino)phenyl]ethyl]quinoxaline-6-carboxamide
SMILESCN(C)c1ccc(CCNC(=O)c2ccc3nccnc3c2)cc1
InChIInChI=1S/C19H20N4O/c1-23(2)16-6-3-14(4-7-16)9-10-22-19(24)15-5-8-17-18(13-15)21-12-11-20-17/h3-8,11-13H,9-10H2,1-2H3,(H,22,24)
InChIKeyJERJMGACXSZPIC-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.67
Rot. Bonds5

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

N-[2-[4-(dimethylamino)phenyl]ethyl]quinoxaline-6-carboxamide (PubChem CID 146083370) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]ethyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]ethyl]quinoxaline-6-carboxamide
PubChem CID146083370
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-[2-[4-(dimethylamino)phenyl]ethyl]quinoxaline-6-carboxamide
SMILESCN(C)c1ccc(CCNC(=O)c2ccc3nccnc3c2)cc1
InChIInChI=1S/C19H20N4O/c1-23(2)16-6-3-14(4-7-16)9-10-22-19(24)15-5-8-17-18(13-15)21-12-11-20-17/h3-8,11-13H,9-10H2,1-2H3,(H,22,24)
InChIKeyJERJMGACXSZPIC-UHFFFAOYSA-N
XLogP2.67
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]quinoxaline-6-carboxamide
CID 166286953
N-(2-phenylethyl)quinoxaline-6-carboxamide
CID 858929
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide
CID 16889405
3-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide
CID 16889424
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 46981532
N-[2-(3,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide
CID 110795396
N-(2-phenylethyl)quinoline-6-carboxamide
CID 2823262
N-(3-bromopropyl)quinoxaline-6-carboxamide
CID 62874705
N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-(dimethylamino)benzamide
CID 110796046
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-propan-2-yloxybenzamide
CID 16889377
N-[2-(2-methoxyphenyl)ethyl]quinoxaline-6-carboxamide
CID 110690530
3-(dimethylamino)-N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110795352

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]quinoxaline-6-carboxamide (CID 146083370) is N-[2-[4-(dimethylamino)phenyl]ethyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]ethyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]ethyl]quinoxaline-6-carboxamide is CN(C)c1ccc(CCNC(=O)c2ccc3nccnc3c2)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]ethyl]quinoxaline-6-carboxamide?
The InChIKey is JERJMGACXSZPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-23(2)16-6-3-14(4-7-16)9-10-22-19(24)15-5-8-17-18(13-15)21-12-11-20-17/h3-8,11-13H,9-10H2,1-2H3,(H,22,24).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]ethyl]quinoxaline-6-carboxamide?
N-[2-[4-(dimethylamino)phenyl]ethyl]quinoxaline-6-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]ethyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 146083370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).