4-chloro-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzamide

C20H17ClN4O — CID 1399806

IUPAC4-chloro-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzamide
SMILESCCn1nc(NC(=O)c2ccc(Cl)cc2)c2cc3ccc(C)cc3nc21
InChIInChI=1S/C20H17ClN4O/c1-3-25-19-16(11-14-5-4-12(2)10-17(14)22-19)18(24-25)23-20(26)13-6-8-15(21)9-7-13/h4-11H,3H2,1-2H3,(H,23,24,26)
InChIKeyOCENCYMDVGOVRH-UHFFFAOYSA-N
MW364.84 g/mol
LogP4.82
Rot. Bonds3

About 4-chloro-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzamide

4-chloro-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzamide (PubChem CID 1399806) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is 4-chloro-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzamide
PubChem CID1399806
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC Name4-chloro-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzamide
SMILESCCn1nc(NC(=O)c2ccc(Cl)cc2)c2cc3ccc(C)cc3nc21
InChIInChI=1S/C20H17ClN4O/c1-3-25-19-16(11-14-5-4-12(2)10-17(14)22-19)18(24-25)23-20(26)13-6-8-15(21)9-7-13/h4-11H,3H2,1-2H3,(H,23,24,26)
InChIKeyOCENCYMDVGOVRH-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

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Related Compounds

N-(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)benzamide
CID 946372
3-methyl-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide
CID 1414949
N-(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)pyridine-2-carboxamide
CID 1390670
N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)-3-methylbutanamide
CID 932804
2-ethoxy-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide
CID 1397929
4-[(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)amino]-4-oxobutanoate
CID 7258197
2-(4-chlorophenoxy)-N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)acetamide
CID 17101071
4-tert-butyl-N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)benzamide
CID 3422588
N-(1,7-dimethylpyrazolo[5,4-b]quinolin-3-yl)-5-methylfuran-2-carboxamide
CID 70680249
2-(4-chlorophenoxy)-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide
CID 17101011
4-chloro-N-[3-(6-methylquinolin-2-yl)phenyl]benzamide
CID 74763620
2-methoxy-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide
CID 1402366

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzamide?
The IUPAC name of 4-chloro-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzamide (CID 1399806) is 4-chloro-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzamide?
The canonical SMILES for 4-chloro-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzamide is CCn1nc(NC(=O)c2ccc(Cl)cc2)c2cc3ccc(C)cc3nc21.
What is the InChIKey of 4-chloro-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzamide?
The InChIKey is OCENCYMDVGOVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O/c1-3-25-19-16(11-14-5-4-12(2)10-17(14)22-19)18(24-25)23-20(26)13-6-8-15(21)9-7-13/h4-11H,3H2,1-2H3,(H,23,24,26).
What are the key properties of 4-chloro-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzamide?
4-chloro-N-(1-ethyl-7-methylpyrazolo[5,4-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 4-chloro-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzamide is sourced from PubChem (CID 1399806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).