3-chloro-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)benzamide

C20H17ClN4O — CID 1265565

IUPAC3-chloro-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)benzamide
SMILESCCn1nc(NC(=O)c2cccc(Cl)c2)c2cc3cccc(C)c3nc21
InChIInChI=1S/C20H17ClN4O/c1-3-25-19-16(11-13-7-4-6-12(2)17(13)22-19)18(24-25)23-20(26)14-8-5-9-15(21)10-14/h4-11H,3H2,1-2H3,(H,23,24,26)
InChIKeyPLICBQBYCNXYHF-UHFFFAOYSA-N
MW364.84 g/mol
LogP4.82
Rot. Bonds3

About 3-chloro-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)benzamide

3-chloro-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)benzamide (PubChem CID 1265565) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is 3-chloro-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)benzamide
PubChem CID1265565
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC Name3-chloro-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)benzamide
SMILESCCn1nc(NC(=O)c2cccc(Cl)c2)c2cc3cccc(C)c3nc21
InChIInChI=1S/C20H17ClN4O/c1-3-25-19-16(11-13-7-4-6-12(2)17(13)22-19)18(24-25)23-20(26)14-8-5-9-15(21)10-14/h4-11H,3H2,1-2H3,(H,23,24,26)
InChIKeyPLICBQBYCNXYHF-UHFFFAOYSA-N
XLogP4.82
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid
CID 3162704
N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)-4-nitrobenzamide
CID 1422648
N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide
CID 943803
3-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzamide
CID 45284642
4-chloro-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzamide
CID 1399806
4-[(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)amino]-4-oxobutanoate
CID 7258195
N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-3-nitrobenzamide
CID 17101128
3-chloro-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
CID 2986824
N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide
CID 3829391
N-(9-benzyl-2-butylpurin-6-yl)-3-chlorobenzamide
CID 22115473
N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)-3-nitrobenzamide
CID 17101068
3-chloro-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide
CID 84558608

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)benzamide?
The IUPAC name of 3-chloro-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)benzamide (CID 1265565) is 3-chloro-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)benzamide?
The canonical SMILES for 3-chloro-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)benzamide is CCn1nc(NC(=O)c2cccc(Cl)c2)c2cc3cccc(C)c3nc21.
What is the InChIKey of 3-chloro-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)benzamide?
The InChIKey is PLICBQBYCNXYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O/c1-3-25-19-16(11-13-7-4-6-12(2)17(13)22-19)18(24-25)23-20(26)14-8-5-9-15(21)10-14/h4-11H,3H2,1-2H3,(H,23,24,26).
What are the key properties of 3-chloro-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)benzamide?
3-chloro-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)benzamide has a molecular weight of 364.84 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)benzamide is sourced from PubChem (CID 1265565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).