N,N-diethyl-2-[3-methyl-4-[3-methyl-2-oxo-8-(5-pyrrolidin-1-ylpyrazin-2-yl)imidazo[4,5-c]quinolin-1-yl]pyrazol-1-yl]acetamide

C29H33N9O2 — CID 59619784

IUPACN,N-diethyl-2-[3-methyl-4-[3-methyl-2-oxo-8-(5-pyrrolidin-1-ylpyrazin-2-yl)imidazo[4,5-c]quinolin-1-yl]pyrazol-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1cc(-n2c(=O)n(C)c3cnc4ccc(-c5cnc(N6CCCC6)cn5)cc4c32)c(C)n1
InChIInChI=1S/C29H33N9O2/c1-5-35(6-2)27(39)18-37-17-25(19(3)33-37)38-28-21-13-20(9-10-22(21)30-15-24(28)34(4)29(38)40)23-14-32-26(16-31-23)36-11-7-8-12-36/h9-10,13-17H,5-8,11-12,18H2,1-4H3
InChIKeyLECUNROBOZUEEU-UHFFFAOYSA-N
MW539.64 g/mol
LogP3.31
Rot. Bonds7

About N,N-diethyl-2-[3-methyl-4-[3-methyl-2-oxo-8-(5-pyrrolidin-1-ylpyrazin-2-yl)imidazo[4,5-c]quinolin-1-yl]pyrazol-1-yl]acetamide

N,N-diethyl-2-[3-methyl-4-[3-methyl-2-oxo-8-(5-pyrrolidin-1-ylpyrazin-2-yl)imidazo[4,5-c]quinolin-1-yl]pyrazol-1-yl]acetamide (PubChem CID 59619784) has the molecular formula C29H33N9O2 and a molecular weight of 539.64 g/mol. Its IUPAC name is N,N-diethyl-2-[3-methyl-4-[3-methyl-2-oxo-8-(5-pyrrolidin-1-ylpyrazin-2-yl)imidazo[4,5-c]quinolin-1-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[3-methyl-4-[3-methyl-2-oxo-8-(5-pyrrolidin-1-ylpyrazin-2-yl)imidazo[4,5-c]quinolin-1-yl]pyrazol-1-yl]acetamide
PubChem CID59619784
Molecular FormulaC29H33N9O2
Molecular Weight539.64 g/mol
Exact Mass539.28
IUPAC NameN,N-diethyl-2-[3-methyl-4-[3-methyl-2-oxo-8-(5-pyrrolidin-1-ylpyrazin-2-yl)imidazo[4,5-c]quinolin-1-yl]pyrazol-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1cc(-n2c(=O)n(C)c3cnc4ccc(-c5cnc(N6CCCC6)cn5)cc4c32)c(C)n1
InChIInChI=1S/C29H33N9O2/c1-5-35(6-2)27(39)18-37-17-25(19(3)33-37)38-28-21-13-20(9-10-22(21)30-15-24(28)34(4)29(38)40)23-14-32-26(16-31-23)36-11-7-8-12-36/h9-10,13-17H,5-8,11-12,18H2,1-4H3
InChIKeyLECUNROBOZUEEU-UHFFFAOYSA-N
XLogP3.31
TPSA106.97 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.64
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N,N-diethyl-2-[3-methyl-4-[3-methyl-2-oxo-8-(5-pyrrolidin-1-ylpyrazin-2-yl)imidazo[4,5-c]quinolin-1-yl]pyrazol-1-yl]acetamide with MolForge

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Related Compounds

8-(6-ethoxy-3-pyridinyl)-1-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59620070
1-(1-ethyl-3-methylpyrazol-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619745
2-methyl-2-[3-methyl-4-[3-methyl-2-oxo-8-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]quinolin-1-yl]pyrazol-1-yl]butanamide
CID 90773321
8-[5-(aminomethyl)-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59620031
1-(1,3-dimethylpyrazol-4-yl)-8-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619625
1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-[6-methyl-5-(methylamino)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 59619638
1-(1,3-dimethylpyrazol-4-yl)-8-[3-hydroxy-5-(trifluoromethyl)phenyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619818
1-(1,3-dimethylpyrazol-4-yl)-8-[6-(ethoxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619881
8-bromo-1-[6-[ethyl(methyl)amino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59612896
1-(1,3-dimethylpyrazol-4-yl)-8-[6-(hydroxymethyl)-5-propan-2-yloxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619932
1-(1,3-dimethylpyrazol-4-yl)-3-methyl-8-(6-methyl-5-propan-2-yloxy-3-pyridinyl)imidazo[4,5-c]quinolin-2-one
CID 59620037
2-methoxy-N-[6-methyl-5-[3-methyl-8-[6-(methylamino)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]acetamide
CID 67266789

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[3-methyl-4-[3-methyl-2-oxo-8-(5-pyrrolidin-1-ylpyrazin-2-yl)imidazo[4,5-c]quinolin-1-yl]pyrazol-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[3-methyl-4-[3-methyl-2-oxo-8-(5-pyrrolidin-1-ylpyrazin-2-yl)imidazo[4,5-c]quinolin-1-yl]pyrazol-1-yl]acetamide (CID 59619784) is N,N-diethyl-2-[3-methyl-4-[3-methyl-2-oxo-8-(5-pyrrolidin-1-ylpyrazin-2-yl)imidazo[4,5-c]quinolin-1-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[3-methyl-4-[3-methyl-2-oxo-8-(5-pyrrolidin-1-ylpyrazin-2-yl)imidazo[4,5-c]quinolin-1-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[3-methyl-4-[3-methyl-2-oxo-8-(5-pyrrolidin-1-ylpyrazin-2-yl)imidazo[4,5-c]quinolin-1-yl]pyrazol-1-yl]acetamide is CCN(CC)C(=O)Cn1cc(-n2c(=O)n(C)c3cnc4ccc(-c5cnc(N6CCCC6)cn5)cc4c32)c(C)n1.
What is the InChIKey of N,N-diethyl-2-[3-methyl-4-[3-methyl-2-oxo-8-(5-pyrrolidin-1-ylpyrazin-2-yl)imidazo[4,5-c]quinolin-1-yl]pyrazol-1-yl]acetamide?
The InChIKey is LECUNROBOZUEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N9O2/c1-5-35(6-2)27(39)18-37-17-25(19(3)33-37)38-28-21-13-20(9-10-22(21)30-15-24(28)34(4)29(38)40)23-14-32-26(16-31-23)36-11-7-8-12-36/h9-10,13-17H,5-8,11-12,18H2,1-4H3.
What are the key properties of N,N-diethyl-2-[3-methyl-4-[3-methyl-2-oxo-8-(5-pyrrolidin-1-ylpyrazin-2-yl)imidazo[4,5-c]quinolin-1-yl]pyrazol-1-yl]acetamide?
N,N-diethyl-2-[3-methyl-4-[3-methyl-2-oxo-8-(5-pyrrolidin-1-ylpyrazin-2-yl)imidazo[4,5-c]quinolin-1-yl]pyrazol-1-yl]acetamide has a molecular weight of 539.64 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[3-methyl-4-[3-methyl-2-oxo-8-(5-pyrrolidin-1-ylpyrazin-2-yl)imidazo[4,5-c]quinolin-1-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 59619784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).