6-[[1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]azetidin-3-ylidene]methyl]-N-methylpyridazine-3-carboxamide

C20H19FN6O2 — CID 178063348

IUPAC6-[[1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]azetidin-3-ylidene]methyl]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(C=C2CN(Cc3ccc4nc(C)c(=O)[nH]c4c3F)C2)nn1
InChIInChI=1S/C20H19FN6O2/c1-11-19(28)24-18-15(23-11)5-3-13(17(18)21)10-27-8-12(9-27)7-14-4-6-16(26-25-14)20(29)22-2/h3-7H,8-10H2,1-2H3,(H,22,29)(H,24,28)
InChIKeyUZSVMXJIGZAWGC-UHFFFAOYSA-N
MW394.41 g/mol
LogP1.42
Rot. Bonds4

About 6-[[1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]azetidin-3-ylidene]methyl]-N-methylpyridazine-3-carboxamide

6-[[1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]azetidin-3-ylidene]methyl]-N-methylpyridazine-3-carboxamide (PubChem CID 178063348) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is 6-[[1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]azetidin-3-ylidene]methyl]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]azetidin-3-ylidene]methyl]-N-methylpyridazine-3-carboxamide
PubChem CID178063348
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC Name6-[[1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]azetidin-3-ylidene]methyl]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(C=C2CN(Cc3ccc4nc(C)c(=O)[nH]c4c3F)C2)nn1
InChIInChI=1S/C20H19FN6O2/c1-11-19(28)24-18-15(23-11)5-3-13(17(18)21)10-27-8-12(9-27)7-14-4-6-16(26-25-14)20(29)22-2/h3-7H,8-10H2,1-2H3,(H,22,29)(H,24,28)
InChIKeyUZSVMXJIGZAWGC-UHFFFAOYSA-N
XLogP1.42
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-[[(3E)-3-[(2,3-difluoro-4-methylphenyl)methylidene]pyrrolidin-1-yl]methyl]-8-fluoro-3-methyl-1H-quinoxalin-2-one;N-methylformamide
CID 178063377
6-fluoro-5-[(3S)-1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]pyrrolidin-3-yl]oxy-N-methylpyridine-2-carboxamide
CID 176996033
6-chloro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524536
N-cyclopropyl-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169110805
6-(difluoromethyl)-5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524515
5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524582
6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-2-carboxamide
CID 178131995
6-chloro-5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524577
5-[4-[(6-fluoro-2-methyl-4-oxo-3,5-dihydro-1H-pyrrolo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
CID 172560072
N-(3,3-difluorocyclobutyl)-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169110832
6-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 178131856
6-fluoro-5-[4-[(8-fluoro-3-methyl-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 169110715

Frequently Asked Questions

What is the IUPAC name of 6-[[1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]azetidin-3-ylidene]methyl]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[[1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]azetidin-3-ylidene]methyl]-N-methylpyridazine-3-carboxamide (CID 178063348) is 6-[[1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]azetidin-3-ylidene]methyl]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[[1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]azetidin-3-ylidene]methyl]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[[1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]azetidin-3-ylidene]methyl]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(C=C2CN(Cc3ccc4nc(C)c(=O)[nH]c4c3F)C2)nn1.
What is the InChIKey of 6-[[1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]azetidin-3-ylidene]methyl]-N-methylpyridazine-3-carboxamide?
The InChIKey is UZSVMXJIGZAWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2/c1-11-19(28)24-18-15(23-11)5-3-13(17(18)21)10-27-8-12(9-27)7-14-4-6-16(26-25-14)20(29)22-2/h3-7H,8-10H2,1-2H3,(H,22,29)(H,24,28).
What are the key properties of 6-[[1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]azetidin-3-ylidene]methyl]-N-methylpyridazine-3-carboxamide?
6-[[1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]azetidin-3-ylidene]methyl]-N-methylpyridazine-3-carboxamide has a molecular weight of 394.41 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]azetidin-3-ylidene]methyl]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 178063348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).