N-[3-chloro-4-(1H-pyrazolo[1,5-a]quinoxaline-5-carbonyl)phenyl]-5-fluoro-2-methylbenzamide

C25H18ClFN4O2 — CID 70084915

IUPACN-[3-chloro-4-(1H-pyrazolo[1,5-a]quinoxaline-5-carbonyl)phenyl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C=C3C=CNN3c3ccccc32)c(Cl)c1
InChIInChI=1S/C25H18ClFN4O2/c1-15-6-7-16(27)12-20(15)24(32)29-17-8-9-19(21(26)13-17)25(33)30-14-18-10-11-28-31(18)23-5-3-2-4-22(23)30/h2-14,28H,1H3,(H,29,32)
InChIKeyGHDALHQQRMZALP-UHFFFAOYSA-N
MW460.90 g/mol
LogP5.38
Rot. Bonds3

About N-[3-chloro-4-(1H-pyrazolo[1,5-a]quinoxaline-5-carbonyl)phenyl]-5-fluoro-2-methylbenzamide

N-[3-chloro-4-(1H-pyrazolo[1,5-a]quinoxaline-5-carbonyl)phenyl]-5-fluoro-2-methylbenzamide (PubChem CID 70084915) has the molecular formula C25H18ClFN4O2 and a molecular weight of 460.90 g/mol. Its IUPAC name is N-[3-chloro-4-(1H-pyrazolo[1,5-a]quinoxaline-5-carbonyl)phenyl]-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-chloro-4-(1H-pyrazolo[1,5-a]quinoxaline-5-carbonyl)phenyl]-5-fluoro-2-methylbenzamide
PubChem CID70084915
Molecular FormulaC25H18ClFN4O2
Molecular Weight460.90 g/mol
Exact Mass460.11
IUPAC NameN-[3-chloro-4-(1H-pyrazolo[1,5-a]quinoxaline-5-carbonyl)phenyl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C=C3C=CNN3c3ccccc32)c(Cl)c1
InChIInChI=1S/C25H18ClFN4O2/c1-15-6-7-16(27)12-20(15)24(32)29-17-8-9-19(21(26)13-17)25(33)30-14-18-10-11-28-31(18)23-5-3-2-4-22(23)30/h2-14,28H,1H3,(H,29,32)
InChIKeyGHDALHQQRMZALP-UHFFFAOYSA-N
XLogP5.38
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.90
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(1H-pyrazolo[1,5-a]quinoxaline-5-carbonyl)phenyl]-5-fluoro-2-methylbenzamide?
The IUPAC name of N-[3-chloro-4-(1H-pyrazolo[1,5-a]quinoxaline-5-carbonyl)phenyl]-5-fluoro-2-methylbenzamide (CID 70084915) is N-[3-chloro-4-(1H-pyrazolo[1,5-a]quinoxaline-5-carbonyl)phenyl]-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[3-chloro-4-(1H-pyrazolo[1,5-a]quinoxaline-5-carbonyl)phenyl]-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-[3-chloro-4-(1H-pyrazolo[1,5-a]quinoxaline-5-carbonyl)phenyl]-5-fluoro-2-methylbenzamide is Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C=C3C=CNN3c3ccccc32)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(1H-pyrazolo[1,5-a]quinoxaline-5-carbonyl)phenyl]-5-fluoro-2-methylbenzamide?
The InChIKey is GHDALHQQRMZALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClFN4O2/c1-15-6-7-16(27)12-20(15)24(32)29-17-8-9-19(21(26)13-17)25(33)30-14-18-10-11-28-31(18)23-5-3-2-4-22(23)30/h2-14,28H,1H3,(H,29,32).
What are the key properties of N-[3-chloro-4-(1H-pyrazolo[1,5-a]quinoxaline-5-carbonyl)phenyl]-5-fluoro-2-methylbenzamide?
N-[3-chloro-4-(1H-pyrazolo[1,5-a]quinoxaline-5-carbonyl)phenyl]-5-fluoro-2-methylbenzamide has a molecular weight of 460.90 g/mol, XLogP of 5.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(1H-pyrazolo[1,5-a]quinoxaline-5-carbonyl)phenyl]-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 70084915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).