N-(2,4-difluoro-3,5-dimethoxyphenyl)-N-methylquinoxalin-2-amine

C17H15F2N3O2 — CID 139233475

IUPACN-(2,4-difluoro-3,5-dimethoxyphenyl)-N-methylquinoxalin-2-amine
SMILESCOc1cc(N(C)c2cnc3ccccc3n2)c(F)c(OC)c1F
InChIInChI=1S/C17H15F2N3O2/c1-22(14-9-20-10-6-4-5-7-11(10)21-14)12-8-13(23-2)16(19)17(24-3)15(12)18/h4-9H,1-3H3
InChIKeyPNKFONQYVRTMFL-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.69
Rot. Bonds4

About N-(2,4-difluoro-3,5-dimethoxyphenyl)-N-methylquinoxalin-2-amine

N-(2,4-difluoro-3,5-dimethoxyphenyl)-N-methylquinoxalin-2-amine (PubChem CID 139233475) has the molecular formula C17H15F2N3O2 and a molecular weight of 331.32 g/mol. Its IUPAC name is N-(2,4-difluoro-3,5-dimethoxyphenyl)-N-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-(2,4-difluoro-3,5-dimethoxyphenyl)-N-methylquinoxalin-2-amine
PubChem CID139233475
Molecular FormulaC17H15F2N3O2
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC NameN-(2,4-difluoro-3,5-dimethoxyphenyl)-N-methylquinoxalin-2-amine
SMILESCOc1cc(N(C)c2cnc3ccccc3n2)c(F)c(OC)c1F
InChIInChI=1S/C17H15F2N3O2/c1-22(14-9-20-10-6-4-5-7-11(10)21-14)12-8-13(23-2)16(19)17(24-3)15(12)18/h4-9H,1-3H3
InChIKeyPNKFONQYVRTMFL-UHFFFAOYSA-N
XLogP3.69
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Supinoxin
CID 11619093
2-[4-(4-Methoxyphenyl)piperazin-1-yl]quinoxaline
CID 2764806
(6,7-Dimethoxy-quinoxalin-2-yl)-phenyl-amine
CID 9903852
4-(3,5-Dimethoxyanilino)-2-(2-pyrazinyl)-6-trifluoromethylpyrimidine
CID 10110112
6-[(3,5-Dimethoxyanilino)methyl]pteridine-2,4-diamine
CID 456432
2-[4-(3-Methoxyphenyl)piperazin-1-yl]quinoxaline
CID 3813537
(7-Methoxy-quinoxalin-2-yl)-phenyl-amine
CID 44335539
2-Anilino-6-methoxy-quinoxaline
CID 10198882
Pyrrolo[1,2-a]quinoxalin-4-amine, N-(3,4,5-trimethoxyphenyl)-
CID 400205
6-Methoxy-2-piperazin-1-ylquinoxaline;hydrochloride
CID 12686448
N-(3,5-dimethoxyphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide
CID 16024823
6,7-dimethoxy-N-methyl-N-phenylquinoxalin-2-amine
CID 44335524

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluoro-3,5-dimethoxyphenyl)-N-methylquinoxalin-2-amine?
The IUPAC name of N-(2,4-difluoro-3,5-dimethoxyphenyl)-N-methylquinoxalin-2-amine (CID 139233475) is N-(2,4-difluoro-3,5-dimethoxyphenyl)-N-methylquinoxalin-2-amine.
What is the SMILES notation for N-(2,4-difluoro-3,5-dimethoxyphenyl)-N-methylquinoxalin-2-amine?
The canonical SMILES for N-(2,4-difluoro-3,5-dimethoxyphenyl)-N-methylquinoxalin-2-amine is COc1cc(N(C)c2cnc3ccccc3n2)c(F)c(OC)c1F.
What is the InChIKey of N-(2,4-difluoro-3,5-dimethoxyphenyl)-N-methylquinoxalin-2-amine?
The InChIKey is PNKFONQYVRTMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2/c1-22(14-9-20-10-6-4-5-7-11(10)21-14)12-8-13(23-2)16(19)17(24-3)15(12)18/h4-9H,1-3H3.
What are the key properties of N-(2,4-difluoro-3,5-dimethoxyphenyl)-N-methylquinoxalin-2-amine?
N-(2,4-difluoro-3,5-dimethoxyphenyl)-N-methylquinoxalin-2-amine has a molecular weight of 331.32 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluoro-3,5-dimethoxyphenyl)-N-methylquinoxalin-2-amine is sourced from PubChem (CID 139233475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).