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

C16H13ClFN3O2 — CID 139233453

IUPACN-(4-chloro-2-fluoro-3,5-dimethoxyphenyl)quinoxalin-2-amine
SMILESCOc1cc(Nc2cnc3ccccc3n2)c(F)c(OC)c1Cl
InChIInChI=1S/C16H13ClFN3O2/c1-22-12-7-11(15(18)16(23-2)14(12)17)21-13-8-19-9-5-3-4-6-10(9)20-13/h3-8H,1-2H3,(H,20,21)
InChIKeyLQSZPDDWYYXKBF-UHFFFAOYSA-N
MW333.75 g/mol
LogP4.18
Rot. Bonds4

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

N-(4-chloro-2-fluoro-3,5-dimethoxyphenyl)quinoxalin-2-amine (PubChem CID 139233453) has the molecular formula C16H13ClFN3O2 and a molecular weight of 333.75 g/mol. Its IUPAC name is N-(4-chloro-2-fluoro-3,5-dimethoxyphenyl)quinoxalin-2-amine.

Molecular Properties

Compound NameN-(4-chloro-2-fluoro-3,5-dimethoxyphenyl)quinoxalin-2-amine
PubChem CID139233453
Molecular FormulaC16H13ClFN3O2
Molecular Weight333.75 g/mol
Exact Mass333.07
IUPAC NameN-(4-chloro-2-fluoro-3,5-dimethoxyphenyl)quinoxalin-2-amine
SMILESCOc1cc(Nc2cnc3ccccc3n2)c(F)c(OC)c1Cl
InChIInChI=1S/C16H13ClFN3O2/c1-22-12-7-11(15(18)16(23-2)14(12)17)21-13-8-19-9-5-3-4-6-10(9)20-13/h3-8H,1-2H3,(H,20,21)
InChIKeyLQSZPDDWYYXKBF-UHFFFAOYSA-N
XLogP4.18
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Chloro-phenyl)-(6,7-dimethoxy-quinoxalin-2-yl)-amine
CID 9861697
(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
N-(4-chlorophenyl)-6,7-dimethoxyquinoxalin-2-amine
CID 44335677
3-Fluoro-2,6-dimethoxy-4-(quinoxalin-2-ylamino)benzonitrile
CID 139233451
N-(4-chloro-2,5-difluoro-3-methoxyphenyl)quinoxalin-2-amine
CID 139233452
N-(2,4,5-trifluoro-3-methoxyphenyl)quinoxalin-2-amine
CID 139233454
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-(2,3,4-trifluoro-5-methoxyphenyl)quinoxalin-2-amine
CID 139233469

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluoro-3,5-dimethoxyphenyl)quinoxalin-2-amine?
The IUPAC name of N-(4-chloro-2-fluoro-3,5-dimethoxyphenyl)quinoxalin-2-amine (CID 139233453) is N-(4-chloro-2-fluoro-3,5-dimethoxyphenyl)quinoxalin-2-amine.
What is the SMILES notation for N-(4-chloro-2-fluoro-3,5-dimethoxyphenyl)quinoxalin-2-amine?
The canonical SMILES for N-(4-chloro-2-fluoro-3,5-dimethoxyphenyl)quinoxalin-2-amine is COc1cc(Nc2cnc3ccccc3n2)c(F)c(OC)c1Cl.
What is the InChIKey of N-(4-chloro-2-fluoro-3,5-dimethoxyphenyl)quinoxalin-2-amine?
The InChIKey is LQSZPDDWYYXKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O2/c1-22-12-7-11(15(18)16(23-2)14(12)17)21-13-8-19-9-5-3-4-6-10(9)20-13/h3-8H,1-2H3,(H,20,21).
What are the key properties of N-(4-chloro-2-fluoro-3,5-dimethoxyphenyl)quinoxalin-2-amine?
N-(4-chloro-2-fluoro-3,5-dimethoxyphenyl)quinoxalin-2-amine has a molecular weight of 333.75 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 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)quinoxalin-2-amine is sourced from PubChem (CID 139233453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).