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

C17H15ClFN3O2 — CID 139233473

IUPACN-(4-chloro-2-fluoro-3,5-dimethoxyphenyl)-N-methylquinoxalin-2-amine
SMILESCOc1cc(N(C)c2cnc3ccccc3n2)c(F)c(OC)c1Cl
InChIInChI=1S/C17H15ClFN3O2/c1-22(14-9-20-10-6-4-5-7-11(10)21-14)12-8-13(23-2)15(18)17(24-3)16(12)19/h4-9H,1-3H3
InChIKeyAWRPAXONIHMSLA-UHFFFAOYSA-N
MW347.78 g/mol
LogP4.21
Rot. Bonds4

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

N-(4-chloro-2-fluoro-3,5-dimethoxyphenyl)-N-methylquinoxalin-2-amine (PubChem CID 139233473) has the molecular formula C17H15ClFN3O2 and a molecular weight of 347.78 g/mol. Its IUPAC name is N-(4-chloro-2-fluoro-3,5-dimethoxyphenyl)-N-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-(4-chloro-2-fluoro-3,5-dimethoxyphenyl)-N-methylquinoxalin-2-amine
PubChem CID139233473
Molecular FormulaC17H15ClFN3O2
Molecular Weight347.78 g/mol
Exact Mass347.08
IUPAC NameN-(4-chloro-2-fluoro-3,5-dimethoxyphenyl)-N-methylquinoxalin-2-amine
SMILESCOc1cc(N(C)c2cnc3ccccc3n2)c(F)c(OC)c1Cl
InChIInChI=1S/C17H15ClFN3O2/c1-22(14-9-20-10-6-4-5-7-11(10)21-14)12-8-13(23-2)15(18)17(24-3)16(12)19/h4-9H,1-3H3
InChIKeyAWRPAXONIHMSLA-UHFFFAOYSA-N
XLogP4.21
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-6,7-dimethoxyquinoxalin-2-amine
CID 44335677
N-(4-chloro-2,5-difluoro-3-methoxyphenyl)quinoxalin-2-amine
CID 139233452
N-(4-chloro-2-fluoro-3,5-dimethoxyphenyl)quinoxalin-2-amine
CID 139233453
N-(2,4-difluoro-3,5-dimethoxyphenyl)quinoxalin-2-amine
CID 139233455
N-(2-fluoro-3,4,5-trimethoxyphenyl)quinoxalin-2-amine
CID 139233457
N-(4-chloro-2,3-difluoro-5-methoxyphenyl)quinoxalin-2-amine
CID 139233467
N-(4-chloro-2,5-difluoro-3-methoxyphenyl)-N-methylquinoxalin-2-amine
CID 139233472
N-methyl-N-(2,4,5-trifluoro-3-methoxyphenyl)quinoxalin-2-amine
CID 139233474
N-(2,4-difluoro-3,5-dimethoxyphenyl)-N-methylquinoxalin-2-amine
CID 139233475
N-(2-fluoro-3,4,5-trimethoxyphenyl)-N-methylquinoxalin-2-amine
CID 139233477
N-(4-chloro-2,3-difluoro-5-methoxyphenyl)-N-methylquinoxalin-2-amine
CID 139233487
N-methyl-N-(2,3,4-trifluoro-5-methoxyphenyl)quinoxalin-2-amine
CID 139233489

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluoro-3,5-dimethoxyphenyl)-N-methylquinoxalin-2-amine?
The IUPAC name of N-(4-chloro-2-fluoro-3,5-dimethoxyphenyl)-N-methylquinoxalin-2-amine (CID 139233473) is N-(4-chloro-2-fluoro-3,5-dimethoxyphenyl)-N-methylquinoxalin-2-amine.
What is the SMILES notation for N-(4-chloro-2-fluoro-3,5-dimethoxyphenyl)-N-methylquinoxalin-2-amine?
The canonical SMILES for N-(4-chloro-2-fluoro-3,5-dimethoxyphenyl)-N-methylquinoxalin-2-amine is COc1cc(N(C)c2cnc3ccccc3n2)c(F)c(OC)c1Cl.
What is the InChIKey of N-(4-chloro-2-fluoro-3,5-dimethoxyphenyl)-N-methylquinoxalin-2-amine?
The InChIKey is AWRPAXONIHMSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O2/c1-22(14-9-20-10-6-4-5-7-11(10)21-14)12-8-13(23-2)15(18)17(24-3)16(12)19/h4-9H,1-3H3.
What are the key properties of N-(4-chloro-2-fluoro-3,5-dimethoxyphenyl)-N-methylquinoxalin-2-amine?
N-(4-chloro-2-fluoro-3,5-dimethoxyphenyl)-N-methylquinoxalin-2-amine has a molecular weight of 347.78 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluoro-3,5-dimethoxyphenyl)-N-methylquinoxalin-2-amine is sourced from PubChem (CID 139233473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).