N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-3-nitrobenzamide

C19H15N5O3 — CID 17101128

IUPACN-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-3-nitrobenzamide
SMILESCCn1nc(NC(=O)c2cccc([N+](=O)[O-])c2)c2cc3ccccc3nc21
InChIInChI=1S/C19H15N5O3/c1-2-23-18-15(11-12-6-3-4-9-16(12)20-18)17(22-23)21-19(25)13-7-5-8-14(10-13)24(26)27/h3-11H,2H2,1H3,(H,21,22,25)
InChIKeyJUFRVBSIFRFBDB-UHFFFAOYSA-N
MW361.36 g/mol
LogP3.76
Rot. Bonds4

About N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-3-nitrobenzamide

N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-3-nitrobenzamide (PubChem CID 17101128) has the molecular formula C19H15N5O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-3-nitrobenzamide
PubChem CID17101128
Molecular FormulaC19H15N5O3
Molecular Weight361.36 g/mol
Exact Mass361.12
IUPAC NameN-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-3-nitrobenzamide
SMILESCCn1nc(NC(=O)c2cccc([N+](=O)[O-])c2)c2cc3ccccc3nc21
InChIInChI=1S/C19H15N5O3/c1-2-23-18-15(11-12-6-3-4-9-16(12)20-18)17(22-23)21-19(25)13-7-5-8-14(10-13)24(26)27/h3-11H,2H2,1H3,(H,21,22,25)
InChIKeyJUFRVBSIFRFBDB-UHFFFAOYSA-N
XLogP3.76
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)-3-nitrobenzamide
CID 17101068
N-(2-ethyl-5-methylpyrazol-3-yl)-3-nitrobenzamide
CID 45284644
N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)-4-nitrobenzamide
CID 1422648
3-nitro-N-(2-phenylquinazolin-4-yl)benzamide
CID 155524329
4-ethoxy-N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide
CID 2018838
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide
CID 4301788
N-(2-acetamidophenyl)-3-nitrobenzamide
CID 3509024
1-ethyl-4-[(3-nitrobenzoyl)amino]-3-(2-phenylethyl)pyrazole-5-carboxylic acid
CID 142699357
N-(2,6-diethylphenyl)-3-nitrobenzamide
CID 731505
4-[(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)amino]-4-oxobutanoate
CID 7258197
N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-nitrobenzamide
CID 4940815

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-3-nitrobenzamide?
The IUPAC name of N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-3-nitrobenzamide (CID 17101128) is N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-3-nitrobenzamide.
What is the SMILES notation for N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-3-nitrobenzamide?
The canonical SMILES for N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-3-nitrobenzamide is CCn1nc(NC(=O)c2cccc([N+](=O)[O-])c2)c2cc3ccccc3nc21.
What is the InChIKey of N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-3-nitrobenzamide?
The InChIKey is JUFRVBSIFRFBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3/c1-2-23-18-15(11-12-6-3-4-9-16(12)20-18)17(22-23)21-19(25)13-7-5-8-14(10-13)24(26)27/h3-11H,2H2,1H3,(H,21,22,25).
What are the key properties of N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-3-nitrobenzamide?
N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-3-nitrobenzamide has a molecular weight of 361.36 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-3-nitrobenzamide is sourced from PubChem (CID 17101128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).