7-fluoro-2,3-dimethyl-N-[(2R)-2-(N-methylanilino)propyl]quinoxaline-5-carboxamide

C21H23FN4O — CID 51964973

IUPAC7-fluoro-2,3-dimethyl-N-[(2R)-2-(N-methylanilino)propyl]quinoxaline-5-carboxamide
SMILESCc1nc2cc(F)cc(C(=O)NC[C@@H](C)N(C)c3ccccc3)c2nc1C
InChIInChI=1S/C21H23FN4O/c1-13(26(4)17-8-6-5-7-9-17)12-23-21(27)18-10-16(22)11-19-20(18)25-15(3)14(2)24-19/h5-11,13H,12H2,1-4H3,(H,23,27)/t13-/m1/s1
InChIKeyPHNNROUIWGXCED-CYBMUJFWSA-N
MW366.44 g/mol
LogP3.64
Rot. Bonds5

About 7-fluoro-2,3-dimethyl-N-[(2R)-2-(N-methylanilino)propyl]quinoxaline-5-carboxamide

7-fluoro-2,3-dimethyl-N-[(2R)-2-(N-methylanilino)propyl]quinoxaline-5-carboxamide (PubChem CID 51964973) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 7-fluoro-2,3-dimethyl-N-[(2R)-2-(N-methylanilino)propyl]quinoxaline-5-carboxamide.

Molecular Properties

Compound Name7-fluoro-2,3-dimethyl-N-[(2R)-2-(N-methylanilino)propyl]quinoxaline-5-carboxamide
PubChem CID51964973
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name7-fluoro-2,3-dimethyl-N-[(2R)-2-(N-methylanilino)propyl]quinoxaline-5-carboxamide
SMILESCc1nc2cc(F)cc(C(=O)NC[C@@H](C)N(C)c3ccccc3)c2nc1C
InChIInChI=1S/C21H23FN4O/c1-13(26(4)17-8-6-5-7-9-17)12-23-21(27)18-10-16(22)11-19-20(18)25-15(3)14(2)24-19/h5-11,13H,12H2,1-4H3,(H,23,27)/t13-/m1/s1
InChIKeyPHNNROUIWGXCED-CYBMUJFWSA-N
XLogP3.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-2,3-dimethyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)quinoxaline-5-carboxamide
CID 55851954
2-methoxy-N-[(2R)-2-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 51725711
7-fluoro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dimethylquinoxaline-5-carboxamide
CID 55823334
7-fluoro-2,3-dimethyl-N-[3-(3-methylphenoxy)propyl]quinoxaline-5-carboxamide
CID 55823828
4-chloro-N-[2-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 86990770
1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-(N-methylanilino)propyl]urea
CID 94078524
1-[2-(N-methylanilino)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51084045
2-(1,3-dioxolan-2-yl)-N-[2-(N-methylanilino)propyl]acetamide
CID 102562600
(3-methylquinoxalin-2-yl)methyl 7-fluoro-2,3-dimethylquinoxaline-5-carboxylate
CID 75404250
2-amino-N-[2-(N-methylanilino)propyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 131943872
1-(2-cyano-4-fluorophenyl)-3-[2-(N-methylanilino)propyl]urea
CID 78896423
N-[(2R)-2-(N-methylanilino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51728407

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,3-dimethyl-N-[(2R)-2-(N-methylanilino)propyl]quinoxaline-5-carboxamide?
The IUPAC name of 7-fluoro-2,3-dimethyl-N-[(2R)-2-(N-methylanilino)propyl]quinoxaline-5-carboxamide (CID 51964973) is 7-fluoro-2,3-dimethyl-N-[(2R)-2-(N-methylanilino)propyl]quinoxaline-5-carboxamide.
What is the SMILES notation for 7-fluoro-2,3-dimethyl-N-[(2R)-2-(N-methylanilino)propyl]quinoxaline-5-carboxamide?
The canonical SMILES for 7-fluoro-2,3-dimethyl-N-[(2R)-2-(N-methylanilino)propyl]quinoxaline-5-carboxamide is Cc1nc2cc(F)cc(C(=O)NC[C@@H](C)N(C)c3ccccc3)c2nc1C.
What is the InChIKey of 7-fluoro-2,3-dimethyl-N-[(2R)-2-(N-methylanilino)propyl]quinoxaline-5-carboxamide?
The InChIKey is PHNNROUIWGXCED-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-13(26(4)17-8-6-5-7-9-17)12-23-21(27)18-10-16(22)11-19-20(18)25-15(3)14(2)24-19/h5-11,13H,12H2,1-4H3,(H,23,27)/t13-/m1/s1.
What are the key properties of 7-fluoro-2,3-dimethyl-N-[(2R)-2-(N-methylanilino)propyl]quinoxaline-5-carboxamide?
7-fluoro-2,3-dimethyl-N-[(2R)-2-(N-methylanilino)propyl]quinoxaline-5-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,3-dimethyl-N-[(2R)-2-(N-methylanilino)propyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 51964973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).