N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]-7-fluoroquinoxaline-5-carboxamide

C21H14ClFN4O2 — CID 112845425

IUPACN-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]-7-fluoroquinoxaline-5-carboxamide
SMILESO=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)c1cc(F)cc2nccnc12
InChIInChI=1S/C21H14ClFN4O2/c22-17-10-15(3-4-19(17)29-12-13-2-1-5-24-11-13)27-21(28)16-8-14(23)9-18-20(16)26-7-6-25-18/h1-11H,12H2,(H,27,28)
InChIKeyTYRUMCIHVISDJC-UHFFFAOYSA-N
MW408.82 g/mol
LogP4.65
Rot. Bonds5

About N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]-7-fluoroquinoxaline-5-carboxamide

N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]-7-fluoroquinoxaline-5-carboxamide (PubChem CID 112845425) has the molecular formula C21H14ClFN4O2 and a molecular weight of 408.82 g/mol. Its IUPAC name is N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]-7-fluoroquinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]-7-fluoroquinoxaline-5-carboxamide
PubChem CID112845425
Molecular FormulaC21H14ClFN4O2
Molecular Weight408.82 g/mol
Exact Mass408.08
IUPAC NameN-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]-7-fluoroquinoxaline-5-carboxamide
SMILESO=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)c1cc(F)cc2nccnc12
InChIInChI=1S/C21H14ClFN4O2/c22-17-10-15(3-4-19(17)29-12-13-2-1-5-24-11-13)27-21(28)16-8-14(23)9-18-20(16)26-7-6-25-18/h1-11H,12H2,(H,27,28)
InChIKeyTYRUMCIHVISDJC-UHFFFAOYSA-N
XLogP4.65
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.82
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]-7-fluoroquinoxaline-5-carboxamide?
The IUPAC name of N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]-7-fluoroquinoxaline-5-carboxamide (CID 112845425) is N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]-7-fluoroquinoxaline-5-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]-7-fluoroquinoxaline-5-carboxamide?
The canonical SMILES for N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]-7-fluoroquinoxaline-5-carboxamide is O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)c1cc(F)cc2nccnc12.
What is the InChIKey of N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]-7-fluoroquinoxaline-5-carboxamide?
The InChIKey is TYRUMCIHVISDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN4O2/c22-17-10-15(3-4-19(17)29-12-13-2-1-5-24-11-13)27-21(28)16-8-14(23)9-18-20(16)26-7-6-25-18/h1-11H,12H2,(H,27,28).
What are the key properties of N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]-7-fluoroquinoxaline-5-carboxamide?
N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]-7-fluoroquinoxaline-5-carboxamide has a molecular weight of 408.82 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]-7-fluoroquinoxaline-5-carboxamide is sourced from PubChem (CID 112845425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).