N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)-3-nitrobenzamide

C21H19N5O3 — CID 17101068

IUPACN-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)-3-nitrobenzamide
SMILESCCCn1nc(NC(=O)c2cccc([N+](=O)[O-])c2)c2cc3cc(C)ccc3nc21
InChIInChI=1S/C21H19N5O3/c1-3-9-25-20-17(12-15-10-13(2)7-8-18(15)22-20)19(24-25)23-21(27)14-5-4-6-16(11-14)26(28)29/h4-8,10-12H,3,9H2,1-2H3,(H,23,24,27)
InChIKeyBWBSQOIGFRWUFU-UHFFFAOYSA-N
MW389.42 g/mol
LogP4.46
Rot. Bonds5

About N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)-3-nitrobenzamide

N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)-3-nitrobenzamide (PubChem CID 17101068) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)-3-nitrobenzamide
PubChem CID17101068
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)-3-nitrobenzamide
SMILESCCCn1nc(NC(=O)c2cccc([N+](=O)[O-])c2)c2cc3cc(C)ccc3nc21
InChIInChI=1S/C21H19N5O3/c1-3-9-25-20-17(12-15-10-13(2)7-8-18(15)22-20)19(24-25)23-21(27)14-5-4-6-16(11-14)26(28)29/h4-8,10-12H,3,9H2,1-2H3,(H,23,24,27)
InChIKeyBWBSQOIGFRWUFU-UHFFFAOYSA-N
XLogP4.46
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 54.46
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-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-3-nitrobenzamide
CID 17101128
N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)-4-nitrobenzamide
CID 1422648
3-methyl-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide
CID 1414949
N-(2-ethyl-5-methylpyrazol-3-yl)-3-nitrobenzamide
CID 45284644
N-[2-(4-methylphenyl)benzotriazol-5-yl]-3-nitrobenzamide
CID 4264329
N-(3,5-dimethylphenyl)-3-nitrobenzamide
CID 710720
N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide
CID 42694070
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide
CID 1105343
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
N-(2,6-diethylphenyl)-3-nitrobenzamide
CID 731505
3-nitro-N-(2-phenylquinazolin-4-yl)benzamide
CID 155524329
N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]-3-nitrobenzamide
CID 3561615

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)-3-nitrobenzamide?
The IUPAC name of N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)-3-nitrobenzamide (CID 17101068) is N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)-3-nitrobenzamide.
What is the SMILES notation for N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)-3-nitrobenzamide?
The canonical SMILES for N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)-3-nitrobenzamide is CCCn1nc(NC(=O)c2cccc([N+](=O)[O-])c2)c2cc3cc(C)ccc3nc21.
What is the InChIKey of N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)-3-nitrobenzamide?
The InChIKey is BWBSQOIGFRWUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-3-9-25-20-17(12-15-10-13(2)7-8-18(15)22-20)19(24-25)23-21(27)14-5-4-6-16(11-14)26(28)29/h4-8,10-12H,3,9H2,1-2H3,(H,23,24,27).
What are the key properties of N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)-3-nitrobenzamide?
N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)-3-nitrobenzamide has a molecular weight of 389.42 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)-3-nitrobenzamide is sourced from PubChem (CID 17101068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).