3,4-difluoro-N-[4-fluoro-3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide

C26H19F3N4O2 — CID 89443919

IUPAC3,4-difluoro-N-[4-fluoro-3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCCC4)nc3c2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C26H19F3N4O2/c27-19-7-5-17(31-26(35)16-3-6-20(28)21(29)11-16)13-18(19)25(34)15-4-8-22-23(12-15)32-24(14-30-22)33-9-1-2-10-33/h3-8,11-14H,1-2,9-10H2,(H,31,35)
InChIKeyHSNUYCPDTHATQV-UHFFFAOYSA-N
MW476.46 g/mol
LogP5.13
Rot. Bonds5

About 3,4-difluoro-N-[4-fluoro-3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide

3,4-difluoro-N-[4-fluoro-3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide (PubChem CID 89443919) has the molecular formula C26H19F3N4O2 and a molecular weight of 476.46 g/mol. Its IUPAC name is 3,4-difluoro-N-[4-fluoro-3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[4-fluoro-3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
PubChem CID89443919
Molecular FormulaC26H19F3N4O2
Molecular Weight476.46 g/mol
Exact Mass476.15
IUPAC Name3,4-difluoro-N-[4-fluoro-3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCCC4)nc3c2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C26H19F3N4O2/c27-19-7-5-17(31-26(35)16-3-6-20(28)21(29)11-16)13-18(19)25(34)15-4-8-22-23(12-15)32-24(14-30-22)33-9-1-2-10-33/h3-8,11-14H,1-2,9-10H2,(H,31,35)
InChIKeyHSNUYCPDTHATQV-UHFFFAOYSA-N
XLogP5.13
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.46
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443751
4-chloro-3-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443057
N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 172754016
N-[3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 174911369
3,4-difluoro-N-[2-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443742
3-chloro-N-[3,4-difluoro-5-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-4-fluorobenzamide
CID 89445214
tert-butyl piperidine-1-carboxylate;N-[3-(3-chloroquinoxaline-6-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;N-[4-fluoro-3-(3-piperidin-1-ylquinoxaline-6-carbonyl)phenyl]-2,2-dimethylpropanamide
CID 161471690
(2-fluoro-5-hydroxyphenyl)-(3-morpholin-4-ylquinoxalin-6-yl)methanone
CID 89478345
4-chloro-3-fluoro-N-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89445010
N-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3,4-difluorobenzamide
CID 89445006
3,4-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53164633
4-fluoro-N-[4-fluoro-3-(quinoxaline-6-carbonyl)phenyl]benzamide
CID 89443461

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[4-fluoro-3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[4-fluoro-3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide (CID 89443919) is 3,4-difluoro-N-[4-fluoro-3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[4-fluoro-3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[4-fluoro-3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide is O=C(Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCCC4)nc3c2)c1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[4-fluoro-3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide?
The InChIKey is HSNUYCPDTHATQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N4O2/c27-19-7-5-17(31-26(35)16-3-6-20(28)21(29)11-16)13-18(19)25(34)15-4-8-22-23(12-15)32-24(14-30-22)33-9-1-2-10-33/h3-8,11-14H,1-2,9-10H2,(H,31,35).
What are the key properties of 3,4-difluoro-N-[4-fluoro-3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide?
3,4-difluoro-N-[4-fluoro-3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide has a molecular weight of 476.46 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[4-fluoro-3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide is sourced from PubChem (CID 89443919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).