N-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide

C19H14ClFN4O2 — CID 53194257

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
SMILESCn1c(=O)c2cc(C(=O)NCc3ccc(F)cc3Cl)nn2c2ccccc21
InChIInChI=1S/C19H14ClFN4O2/c1-24-15-4-2-3-5-16(15)25-17(19(24)27)9-14(23-25)18(26)22-10-11-6-7-12(21)8-13(11)20/h2-9H,10H2,1H3,(H,22,26)
InChIKeyWGYQZZKZWOEFLF-UHFFFAOYSA-N
MW384.80 g/mol
LogP2.91
Rot. Bonds3

About N-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide

N-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide (PubChem CID 53194257) has the molecular formula C19H14ClFN4O2 and a molecular weight of 384.80 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
PubChem CID53194257
Molecular FormulaC19H14ClFN4O2
Molecular Weight384.80 g/mol
Exact Mass384.08
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
SMILESCn1c(=O)c2cc(C(=O)NCc3ccc(F)cc3Cl)nn2c2ccccc21
InChIInChI=1S/C19H14ClFN4O2/c1-24-15-4-2-3-5-16(15)25-17(19(24)27)9-14(23-25)18(26)22-10-11-6-7-12(21)8-13(11)20/h2-9H,10H2,1H3,(H,22,26)
InChIKeyWGYQZZKZWOEFLF-UHFFFAOYSA-N
XLogP2.91
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.80
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20857512
(6S)-2-N-[(2-chlorophenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743911
(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
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N-[(2-chloro-4-fluorophenyl)methyl]-8-methyl-4-(4-methylpiperazin-1-yl)quinoline-2-carboxamide
CID 50845347
N-[(2-chlorophenyl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 47000839
N-[(2-chlorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822183
N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 46921177
1-[(2-chloro-4-fluorophenyl)methyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)urea
CID 46887143
3-[(2-chlorophenyl)methyl]-N-[(2,4-difluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121027301
N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 45030864
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-[2-(2-hydroxyethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 58157024
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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide (CID 53194257) is N-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide is Cn1c(=O)c2cc(C(=O)NCc3ccc(F)cc3Cl)nn2c2ccccc21.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide?
The InChIKey is WGYQZZKZWOEFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O2/c1-24-15-4-2-3-5-16(15)25-17(19(24)27)9-14(23-25)18(26)22-10-11-6-7-12(21)8-13(11)20/h2-9H,10H2,1H3,(H,22,26).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide?
N-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide has a molecular weight of 384.80 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide is sourced from PubChem (CID 53194257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).