N-(4-chloro-2,5-difluoro-3-methoxyphenyl)quinoxalin-2-amine

C15H10ClF2N3O — CID 139233452

IUPACN-(4-chloro-2,5-difluoro-3-methoxyphenyl)quinoxalin-2-amine
SMILESCOc1c(F)c(Nc2cnc3ccccc3n2)cc(F)c1Cl
InChIInChI=1S/C15H10ClF2N3O/c1-22-15-13(16)8(17)6-11(14(15)18)21-12-7-19-9-4-2-3-5-10(9)20-12/h2-7H,1H3,(H,20,21)
InChIKeyNVYZRTSFCXROMX-UHFFFAOYSA-N
MW321.71 g/mol
LogP4.31
Rot. Bonds3

About N-(4-chloro-2,5-difluoro-3-methoxyphenyl)quinoxalin-2-amine

N-(4-chloro-2,5-difluoro-3-methoxyphenyl)quinoxalin-2-amine (PubChem CID 139233452) has the molecular formula C15H10ClF2N3O and a molecular weight of 321.71 g/mol. Its IUPAC name is N-(4-chloro-2,5-difluoro-3-methoxyphenyl)quinoxalin-2-amine.

Molecular Properties

Compound NameN-(4-chloro-2,5-difluoro-3-methoxyphenyl)quinoxalin-2-amine
PubChem CID139233452
Molecular FormulaC15H10ClF2N3O
Molecular Weight321.71 g/mol
Exact Mass321.05
IUPAC NameN-(4-chloro-2,5-difluoro-3-methoxyphenyl)quinoxalin-2-amine
SMILESCOc1c(F)c(Nc2cnc3ccccc3n2)cc(F)c1Cl
InChIInChI=1S/C15H10ClF2N3O/c1-22-15-13(16)8(17)6-11(14(15)18)21-12-7-19-9-4-2-3-5-10(9)20-12/h2-7H,1H3,(H,20,21)
InChIKeyNVYZRTSFCXROMX-UHFFFAOYSA-N
XLogP4.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.71
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-(4-chloro-2,5-difluoro-3-methoxyphenyl)quinoxalin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-Chloro-phenyl)-(6,7-dimethoxy-quinoxalin-2-yl)-amine
CID 9861697
N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]pyrrolo[1,2-a]pyrazin-1-amine
CID 16095201
6-Chloro-N2,N3-diethyl-7-methoxyquinoxaline-2,3-diamine
CID 49830955
US10071988, Example 2
CID 130309368
(7-Methoxy-quinoxalin-2-yl)-phenyl-amine
CID 44335539
2-Anilino-6-methoxy-quinoxaline
CID 10198882
6-chloro-2-N-ethyl-7-methoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine
CID 56952223
6-chloro-2-N-ethyl-7-methoxy-3-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxaline-2,3-diamine
CID 56952335
6-chloro-2-N-ethyl-7-methoxy-3-N-[3-(4-methylpiperazin-1-yl)propyl]quinoxaline-2,3-diamine
CID 56952336
6-chloro-3-N-[5-(diethylamino)pentan-2-yl]-2-N-ethyl-7-methoxyquinoxaline-2,3-diamine
CID 56952429
6-Methoxy-2-piperazin-1-ylquinoxaline;hydrochloride
CID 12686448
3,6-dichloro-N-ethyl-7-methoxyquinoxalin-2-amine
CID 56952222

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-difluoro-3-methoxyphenyl)quinoxalin-2-amine?
The IUPAC name of N-(4-chloro-2,5-difluoro-3-methoxyphenyl)quinoxalin-2-amine (CID 139233452) is N-(4-chloro-2,5-difluoro-3-methoxyphenyl)quinoxalin-2-amine.
What is the SMILES notation for N-(4-chloro-2,5-difluoro-3-methoxyphenyl)quinoxalin-2-amine?
The canonical SMILES for N-(4-chloro-2,5-difluoro-3-methoxyphenyl)quinoxalin-2-amine is COc1c(F)c(Nc2cnc3ccccc3n2)cc(F)c1Cl.
What is the InChIKey of N-(4-chloro-2,5-difluoro-3-methoxyphenyl)quinoxalin-2-amine?
The InChIKey is NVYZRTSFCXROMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2N3O/c1-22-15-13(16)8(17)6-11(14(15)18)21-12-7-19-9-4-2-3-5-10(9)20-12/h2-7H,1H3,(H,20,21).
What are the key properties of N-(4-chloro-2,5-difluoro-3-methoxyphenyl)quinoxalin-2-amine?
N-(4-chloro-2,5-difluoro-3-methoxyphenyl)quinoxalin-2-amine has a molecular weight of 321.71 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-difluoro-3-methoxyphenyl)quinoxalin-2-amine is sourced from PubChem (CID 139233452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).