3-(diethylamino)-N-(3,4-difluorophenyl)quinoxaline-2-carboxamide

C19H18F2N4O — CID 46365158

IUPAC3-(diethylamino)-N-(3,4-difluorophenyl)quinoxaline-2-carboxamide
SMILESCCN(CC)c1nc2ccccc2nc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H18F2N4O/c1-3-25(4-2)18-17(23-15-7-5-6-8-16(15)24-18)19(26)22-12-9-10-13(20)14(21)11-12/h5-11H,3-4H2,1-2H3,(H,22,26)
InChIKeyJVOMUGWCCMXMCV-UHFFFAOYSA-N
MW356.38 g/mol
LogP4.01
Rot. Bonds5

About 3-(diethylamino)-N-(3,4-difluorophenyl)quinoxaline-2-carboxamide

3-(diethylamino)-N-(3,4-difluorophenyl)quinoxaline-2-carboxamide (PubChem CID 46365158) has the molecular formula C19H18F2N4O and a molecular weight of 356.38 g/mol. Its IUPAC name is 3-(diethylamino)-N-(3,4-difluorophenyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-(diethylamino)-N-(3,4-difluorophenyl)quinoxaline-2-carboxamide
PubChem CID46365158
Molecular FormulaC19H18F2N4O
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name3-(diethylamino)-N-(3,4-difluorophenyl)quinoxaline-2-carboxamide
SMILESCCN(CC)c1nc2ccccc2nc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H18F2N4O/c1-3-25(4-2)18-17(23-15-7-5-6-8-16(15)24-18)19(26)22-12-9-10-13(20)14(21)11-12/h5-11H,3-4H2,1-2H3,(H,22,26)
InChIKeyJVOMUGWCCMXMCV-UHFFFAOYSA-N
XLogP4.01
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(diethylamino)-N-(3-fluoro-4-methylphenyl)quinoxaline-2-carboxamide
CID 46365100
N-(3-chlorophenyl)-3-(diethylamino)quinoxaline-2-carboxamide
CID 46365134
3-(diethylamino)-N-(3-methoxyphenyl)quinoxaline-2-carboxamide
CID 46365121
ethyl 2-[[3-(diethylamino)quinoxaline-2-carbonyl]amino]benzoate
CID 46365119
2-[benzyl(ethyl)amino]-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109306779
1-N-(3,4-difluorophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048473
ethyl 3-(3,4-difluoroanilino)quinoxaline-2-carboxylate
CID 50764897
N-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 16562695
N-(3,4-difluorophenyl)-3-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 110651441
N-(3,4-difluorophenyl)-5-phenyl-2H-triazole-4-carboxamide
CID 166221920
N-(3,4-difluorophenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109267710
N-(3,4-difluorophenyl)-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 50845488

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-N-(3,4-difluorophenyl)quinoxaline-2-carboxamide?
The IUPAC name of 3-(diethylamino)-N-(3,4-difluorophenyl)quinoxaline-2-carboxamide (CID 46365158) is 3-(diethylamino)-N-(3,4-difluorophenyl)quinoxaline-2-carboxamide.
What is the SMILES notation for 3-(diethylamino)-N-(3,4-difluorophenyl)quinoxaline-2-carboxamide?
The canonical SMILES for 3-(diethylamino)-N-(3,4-difluorophenyl)quinoxaline-2-carboxamide is CCN(CC)c1nc2ccccc2nc1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 3-(diethylamino)-N-(3,4-difluorophenyl)quinoxaline-2-carboxamide?
The InChIKey is JVOMUGWCCMXMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O/c1-3-25(4-2)18-17(23-15-7-5-6-8-16(15)24-18)19(26)22-12-9-10-13(20)14(21)11-12/h5-11H,3-4H2,1-2H3,(H,22,26).
What are the key properties of 3-(diethylamino)-N-(3,4-difluorophenyl)quinoxaline-2-carboxamide?
3-(diethylamino)-N-(3,4-difluorophenyl)quinoxaline-2-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-N-(3,4-difluorophenyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 46365158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).