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

C24H33N5O3 — CID 68542137

IUPACN-[2-(cyclohexylmethylamino)ethyl]-2-(5-ethyl-8-methoxy-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide
SMILESCCn1c(=O)c2cnn(CC(=O)NCCNCC3CCCCC3)c2c2cc(OC)ccc21
InChIInChI=1S/C24H33N5O3/c1-3-28-21-10-9-18(32-2)13-19(21)23-20(24(28)31)15-27-29(23)16-22(30)26-12-11-25-14-17-7-5-4-6-8-17/h9-10,13,15,17,25H,3-8,11-12,14,16H2,1-2H3,(H,26,30)
InChIKeyHVHRYJRBYJOGNV-UHFFFAOYSA-N
MW439.56 g/mol
LogP2.67
Rot. Bonds9

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

N-[2-(cyclohexylmethylamino)ethyl]-2-(5-ethyl-8-methoxy-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide (PubChem CID 68542137) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[2-(cyclohexylmethylamino)ethyl]-2-(5-ethyl-8-methoxy-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexylmethylamino)ethyl]-2-(5-ethyl-8-methoxy-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide
PubChem CID68542137
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC NameN-[2-(cyclohexylmethylamino)ethyl]-2-(5-ethyl-8-methoxy-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide
SMILESCCn1c(=O)c2cnn(CC(=O)NCCNCC3CCCCC3)c2c2cc(OC)ccc21
InChIInChI=1S/C24H33N5O3/c1-3-28-21-10-9-18(32-2)13-19(21)23-20(24(28)31)15-27-29(23)16-22(30)26-12-11-25-14-17-7-5-4-6-8-17/h9-10,13,15,17,25H,3-8,11-12,14,16H2,1-2H3,(H,26,30)
InChIKeyHVHRYJRBYJOGNV-UHFFFAOYSA-N
XLogP2.67
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclooctylmethylamino)ethyl]-2-(8-methoxy-5-methyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide
CID 68545421
N-[2-[(4aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]ethyl]-2-(8-methoxy-5-methyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide
CID 70907345
N-(2-aminoethyl)-2-(8-methoxy-5-methyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide
CID 68546413
N-[2-(cycloheptylmethylamino)ethyl]-2-(8-methoxy-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
CID 68543032
N-[2-(cyclohexylmethylamino)ethyl]-2-[6-(4-methoxyphenyl)indol-1-yl]acetamide
CID 68725984
N-cyclopentyl-2-(7-ethyl-4-methyl-9-oxo-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)acetamide
CID 16670609
5-ethyl-8-methoxy-3-(4-methoxyphenyl)pyridazino[4,5-b]indol-4-one
CID 4911333
N-[2-(cyclohexylmethylamino)ethyl]-2-[6-(4-methylphenyl)-3-pyrimidin-5-ylindazol-1-yl]acetamide
CID 68707253
2-cyclohexyl-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 18569655
1-ethyl-5-methoxy-N-(3-methylbutyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915969
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methyl-5-oxopyrazolo[4,5-c]isoquinolin-1-yl)acetamide
CID 68546760
2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 20891948

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylmethylamino)ethyl]-2-(5-ethyl-8-methoxy-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide?
The IUPAC name of N-[2-(cyclohexylmethylamino)ethyl]-2-(5-ethyl-8-methoxy-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide (CID 68542137) is N-[2-(cyclohexylmethylamino)ethyl]-2-(5-ethyl-8-methoxy-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide.
What is the SMILES notation for N-[2-(cyclohexylmethylamino)ethyl]-2-(5-ethyl-8-methoxy-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide?
The canonical SMILES for N-[2-(cyclohexylmethylamino)ethyl]-2-(5-ethyl-8-methoxy-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide is CCn1c(=O)c2cnn(CC(=O)NCCNCC3CCCCC3)c2c2cc(OC)ccc21.
What is the InChIKey of N-[2-(cyclohexylmethylamino)ethyl]-2-(5-ethyl-8-methoxy-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide?
The InChIKey is HVHRYJRBYJOGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-3-28-21-10-9-18(32-2)13-19(21)23-20(24(28)31)15-27-29(23)16-22(30)26-12-11-25-14-17-7-5-4-6-8-17/h9-10,13,15,17,25H,3-8,11-12,14,16H2,1-2H3,(H,26,30).
What are the key properties of N-[2-(cyclohexylmethylamino)ethyl]-2-(5-ethyl-8-methoxy-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide?
N-[2-(cyclohexylmethylamino)ethyl]-2-(5-ethyl-8-methoxy-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide has a molecular weight of 439.56 g/mol, XLogP of 2.67, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylmethylamino)ethyl]-2-(5-ethyl-8-methoxy-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide is sourced from PubChem (CID 68542137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).