N-cycloheptyl-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide

C19H22N4O2 — CID 53186476

IUPACN-cycloheptyl-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
SMILESCn1c(=O)c2ccnn2c2ccc(C(=O)NC3CCCCCC3)cc21
InChIInChI=1S/C19H22N4O2/c1-22-17-12-13(18(24)21-14-6-4-2-3-5-7-14)8-9-15(17)23-16(19(22)25)10-11-20-23/h8-12,14H,2-7H2,1H3,(H,21,24)
InChIKeyUTHVHPFKDCKHGU-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.64
Rot. Bonds2

About N-cycloheptyl-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide

N-cycloheptyl-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide (PubChem CID 53186476) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-cycloheptyl-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
PubChem CID53186476
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-cycloheptyl-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
SMILESCn1c(=O)c2ccnn2c2ccc(C(=O)NC3CCCCCC3)cc21
InChIInChI=1S/C19H22N4O2/c1-22-17-12-13(18(24)21-14-6-4-2-3-5-7-14)8-9-15(17)23-16(19(22)25)10-11-20-23/h8-12,14H,2-7H2,1H3,(H,21,24)
InChIKeyUTHVHPFKDCKHGU-UHFFFAOYSA-N
XLogP2.64
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186561
N-cyclopentyl-1-methylbenzimidazole-5-carboxamide
CID 90980622
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186556
5-ethyl-N-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186577
N-cyclopentyl-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 6460881
N-cyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 95967858
N-cyclopropyl-3-methylbenzimidazole-5-carboxamide
CID 110469101
N-cyclopentyl-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide
CID 110765952
N-cyclooctyl-1-methyl-2-oxopyridine-4-carboxamide
CID 103610769
N-cyclooctyl-4-methylbenzamide
CID 3995245
N-cyclohexylpyridine-4-carboxamide
CID 3436730
N-cycloheptylisoquinoline-6-carboxamide
CID 110485190

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The IUPAC name of N-cycloheptyl-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide (CID 53186476) is N-cycloheptyl-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The canonical SMILES for N-cycloheptyl-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide is Cn1c(=O)c2ccnn2c2ccc(C(=O)NC3CCCCCC3)cc21.
What is the InChIKey of N-cycloheptyl-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The InChIKey is UTHVHPFKDCKHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-22-17-12-13(18(24)21-14-6-4-2-3-5-7-14)8-9-15(17)23-16(19(22)25)10-11-20-23/h8-12,14H,2-7H2,1H3,(H,21,24).
What are the key properties of N-cycloheptyl-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
N-cycloheptyl-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide is sourced from PubChem (CID 53186476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).