N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(8-methoxy-5-methyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide

C23H31N5O3 — CID 59004228

IUPACN-[2-[cyclohexyl(methyl)amino]ethyl]-2-(8-methoxy-5-methyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide
SMILESCOc1ccc2c(c1)c1c(cnn1CC(=O)NCCN(C)C1CCCCC1)c(=O)n2C
InChIInChI=1S/C23H31N5O3/c1-26(16-7-5-4-6-8-16)12-11-24-21(29)15-28-22-18-13-17(31-3)9-10-20(18)27(2)23(30)19(22)14-25-28/h9-10,13-14,16H,4-8,11-12,15H2,1-3H3,(H,24,29)
InChIKeyXGFUFTALKJWRIO-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.28
Rot. Bonds7

About N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(8-methoxy-5-methyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide

N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(8-methoxy-5-methyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide (PubChem CID 59004228) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(8-methoxy-5-methyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methyl)amino]ethyl]-2-(8-methoxy-5-methyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide
PubChem CID59004228
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC NameN-[2-[cyclohexyl(methyl)amino]ethyl]-2-(8-methoxy-5-methyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide
SMILESCOc1ccc2c(c1)c1c(cnn1CC(=O)NCCN(C)C1CCCCC1)c(=O)n2C
InChIInChI=1S/C23H31N5O3/c1-26(16-7-5-4-6-8-16)12-11-24-21(29)15-28-22-18-13-17(31-3)9-10-20(18)27(2)23(30)19(22)14-25-28/h9-10,13-14,16H,4-8,11-12,15H2,1-3H3,(H,24,29)
InChIKeyXGFUFTALKJWRIO-UHFFFAOYSA-N
XLogP2.28
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(8-methoxy-5-methyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide?
The IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(8-methoxy-5-methyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide (CID 59004228) is N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(8-methoxy-5-methyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide.
What is the SMILES notation for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(8-methoxy-5-methyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide?
The canonical SMILES for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(8-methoxy-5-methyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide is COc1ccc2c(c1)c1c(cnn1CC(=O)NCCN(C)C1CCCCC1)c(=O)n2C.
What is the InChIKey of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(8-methoxy-5-methyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide?
The InChIKey is XGFUFTALKJWRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3/c1-26(16-7-5-4-6-8-16)12-11-24-21(29)15-28-22-18-13-17(31-3)9-10-20(18)27(2)23(30)19(22)14-25-28/h9-10,13-14,16H,4-8,11-12,15H2,1-3H3,(H,24,29).
What are the key properties of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(8-methoxy-5-methyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide?
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(8-methoxy-5-methyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide has a molecular weight of 425.53 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(8-methoxy-5-methyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide is sourced from PubChem (CID 59004228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).