N-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-4-chloro-2-fluorophenyl]-3-fluorobenzamide

C24H17ClF2N4O3 — CID 89443323

IUPACN-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-4-chloro-2-fluorophenyl]-3-fluorobenzamide
SMILESNCCOc1cnc2ccc(C(=O)c3c(Cl)ccc(NC(=O)c4cccc(F)c4)c3F)cc2n1
InChIInChI=1S/C24H17ClF2N4O3/c25-16-5-7-18(31-24(33)14-2-1-3-15(26)10-14)22(27)21(16)23(32)13-4-6-17-19(11-13)30-20(12-29-17)34-9-8-28/h1-7,10-12H,8-9,28H2,(H,31,33)
InChIKeyJQFSGDJNCXOJDE-UHFFFAOYSA-N
MW482.87 g/mol
LogP4.38
Rot. Bonds7

About N-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-4-chloro-2-fluorophenyl]-3-fluorobenzamide

N-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-4-chloro-2-fluorophenyl]-3-fluorobenzamide (PubChem CID 89443323) has the molecular formula C24H17ClF2N4O3 and a molecular weight of 482.87 g/mol. Its IUPAC name is N-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-4-chloro-2-fluorophenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-4-chloro-2-fluorophenyl]-3-fluorobenzamide
PubChem CID89443323
Molecular FormulaC24H17ClF2N4O3
Molecular Weight482.87 g/mol
Exact Mass482.10
IUPAC NameN-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-4-chloro-2-fluorophenyl]-3-fluorobenzamide
SMILESNCCOc1cnc2ccc(C(=O)c3c(Cl)ccc(NC(=O)c4cccc(F)c4)c3F)cc2n1
InChIInChI=1S/C24H17ClF2N4O3/c25-16-5-7-18(31-24(33)14-2-1-3-15(26)10-14)22(27)21(16)23(32)13-4-6-17-19(11-13)30-20(12-29-17)34-9-8-28/h1-7,10-12H,8-9,28H2,(H,31,33)
InChIKeyJQFSGDJNCXOJDE-UHFFFAOYSA-N
XLogP4.38
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.87
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-[2-fluoro-3-[3-(2-hydroxyethoxy)quinoxaline-6-carbonyl]phenyl]benzamide
CID 89443473
1-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-3-(3-fluorophenyl)urea
CID 89443748
1-[4-chloro-2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea
CID 89443389
3-chloro-N-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-2-(trifluoromethyl)benzamide
CID 151533168
N-[2,4-difluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide
CID 89444097
N-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3,4-difluorobenzamide
CID 89445006
3-chloro-N-[2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443756
N-[4-chloro-2-fluoro-3-(3-imidazol-1-ylquinoxaline-6-carbonyl)phenyl]-4-fluorobenzamide
CID 89444964
(2-chloro-6-fluoro-3-hydroxyphenyl)-[3-(2-methoxyethoxy)quinoxalin-6-yl]methanone
CID 89478118
N-[3,4-difluoro-5-[3-(1H-pyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]-3-fluorobenzamide
CID 89445075
N-[2-(3-aminopropanoylamino)-4-chlorophenyl]-3-fluorobenzamide
CID 82034776
N-[3,4-difluoro-5-[3-(2-hydroxyethoxy)quinoline-6-carbonyl]phenyl]-3-fluorobenzamide
CID 90080128

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-4-chloro-2-fluorophenyl]-3-fluorobenzamide?
The IUPAC name of N-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-4-chloro-2-fluorophenyl]-3-fluorobenzamide (CID 89443323) is N-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-4-chloro-2-fluorophenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-4-chloro-2-fluorophenyl]-3-fluorobenzamide?
The canonical SMILES for N-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-4-chloro-2-fluorophenyl]-3-fluorobenzamide is NCCOc1cnc2ccc(C(=O)c3c(Cl)ccc(NC(=O)c4cccc(F)c4)c3F)cc2n1.
What is the InChIKey of N-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-4-chloro-2-fluorophenyl]-3-fluorobenzamide?
The InChIKey is JQFSGDJNCXOJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF2N4O3/c25-16-5-7-18(31-24(33)14-2-1-3-15(26)10-14)22(27)21(16)23(32)13-4-6-17-19(11-13)30-20(12-29-17)34-9-8-28/h1-7,10-12H,8-9,28H2,(H,31,33).
What are the key properties of N-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-4-chloro-2-fluorophenyl]-3-fluorobenzamide?
N-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-4-chloro-2-fluorophenyl]-3-fluorobenzamide has a molecular weight of 482.87 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-4-chloro-2-fluorophenyl]-3-fluorobenzamide is sourced from PubChem (CID 89443323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).