N-[(3-chlorophenyl)methyl]-4-oxo-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxamide

C20H18ClN5O2 — CID 70224878

IUPACN-[(3-chlorophenyl)methyl]-4-oxo-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxamide
SMILESCCCc1nnc2c(=O)[nH]c3cc(C(=O)NCc4cccc(Cl)c4)ccc3n12
InChIInChI=1S/C20H18ClN5O2/c1-2-4-17-24-25-18-20(28)23-15-10-13(7-8-16(15)26(17)18)19(27)22-11-12-5-3-6-14(21)9-12/h3,5-10H,2,4,11H2,1H3,(H,22,27)(H,23,28)
InChIKeyBWUDTHASKFAHLB-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.11
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-4-oxo-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxamide

N-[(3-chlorophenyl)methyl]-4-oxo-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxamide (PubChem CID 70224878) has the molecular formula C20H18ClN5O2 and a molecular weight of 395.85 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-oxo-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-oxo-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxamide
PubChem CID70224878
Molecular FormulaC20H18ClN5O2
Molecular Weight395.85 g/mol
Exact Mass395.11
IUPAC NameN-[(3-chlorophenyl)methyl]-4-oxo-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxamide
SMILESCCCc1nnc2c(=O)[nH]c3cc(C(=O)NCc4cccc(Cl)c4)ccc3n12
InChIInChI=1S/C20H18ClN5O2/c1-2-4-17-24-25-18-20(28)23-15-10-13(7-8-16(15)26(17)18)19(27)22-11-12-5-3-6-14(21)9-12/h3,5-10H,2,4,11H2,1H3,(H,22,27)(H,23,28)
InChIKeyBWUDTHASKFAHLB-UHFFFAOYSA-N
XLogP3.11
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3-chlorophenyl)methyl]-4-oxo-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxamide with MolForge

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Related Compounds

4-oxo-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylic acid
CID 58575281
7-(6-phenylhexanoyl)-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 58575265
N-[(3-chlorophenyl)methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 51158730
1-ethyl-N-[(3-methylphenyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 33279242
7-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 58575129
N-[(3-chlorophenyl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide
CID 20940057
N-[(3-chlorophenyl)methyl]-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186622
N-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 2548252
N-[(3-chlorophenyl)methyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 4983183
N-[(3-chlorophenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 51158727
N-[(3-chlorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55554809
N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methylbenzamide
CID 60699247

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-oxo-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-oxo-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxamide (CID 70224878) is N-[(3-chlorophenyl)methyl]-4-oxo-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-oxo-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-oxo-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxamide is CCCc1nnc2c(=O)[nH]c3cc(C(=O)NCc4cccc(Cl)c4)ccc3n12.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-oxo-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxamide?
The InChIKey is BWUDTHASKFAHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O2/c1-2-4-17-24-25-18-20(28)23-15-10-13(7-8-16(15)26(17)18)19(27)22-11-12-5-3-6-14(21)9-12/h3,5-10H,2,4,11H2,1H3,(H,22,27)(H,23,28).
What are the key properties of N-[(3-chlorophenyl)methyl]-4-oxo-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxamide?
N-[(3-chlorophenyl)methyl]-4-oxo-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxamide has a molecular weight of 395.85 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-oxo-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxamide is sourced from PubChem (CID 70224878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).