N-(8-methylquinolin-5-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

C19H14N6O3 — CID 38267885

IUPACN-(8-methylquinolin-5-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c2cccnc12
InChIInChI=1S/C19H14N6O3/c1-12-4-6-15(14-3-2-8-21-18(12)14)23-19(26)13-5-7-16(17(9-13)25(27)28)24-11-20-10-22-24/h2-11H,1H3,(H,23,26)
InChIKeyAJXFOSKDUZOQGE-UHFFFAOYSA-N
MW374.36 g/mol
LogP3.28
Rot. Bonds4

About N-(8-methylquinolin-5-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

N-(8-methylquinolin-5-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 38267885) has the molecular formula C19H14N6O3 and a molecular weight of 374.36 g/mol. Its IUPAC name is N-(8-methylquinolin-5-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(8-methylquinolin-5-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID38267885
Molecular FormulaC19H14N6O3
Molecular Weight374.36 g/mol
Exact Mass374.11
IUPAC NameN-(8-methylquinolin-5-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c2cccnc12
InChIInChI=1S/C19H14N6O3/c1-12-4-6-15(14-3-2-8-21-18(12)14)23-19(26)13-5-7-16(17(9-13)25(27)28)24-11-20-10-22-24/h2-11H,1H3,(H,23,26)
InChIKeyAJXFOSKDUZOQGE-UHFFFAOYSA-N
XLogP3.28
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(2,5-dimethylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 17405245
N-(3-chloro-4-methylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 26719851
3-nitro-4-(1,2,4-triazol-1-yl)-N-(2,3,4-trifluorophenyl)benzamide
CID 17405243
N-[2-(4-methylphenoxy)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 38506829
3-nitro-4-(1,2,4-triazol-1-yl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 35204205
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 24982239
N-[2-(difluoromethoxy)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 17414087
5-nitro-8-(1,2,4-triazol-1-yl)quinoline
CID 63812335
N'-[2-(2-methylphenoxy)acetyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzohydrazide
CID 24979129
N-(1,1-diphenylpropan-2-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 46435297
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 78803465
3-nitro-N-(3-phenylcyclobutyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 166179782

Frequently Asked Questions

What is the IUPAC name of N-(8-methylquinolin-5-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-(8-methylquinolin-5-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide (CID 38267885) is N-(8-methylquinolin-5-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-(8-methylquinolin-5-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-(8-methylquinolin-5-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide is Cc1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c2cccnc12.
What is the InChIKey of N-(8-methylquinolin-5-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is AJXFOSKDUZOQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O3/c1-12-4-6-15(14-3-2-8-21-18(12)14)23-19(26)13-5-7-16(17(9-13)25(27)28)24-11-20-10-22-24/h2-11H,1H3,(H,23,26).
What are the key properties of N-(8-methylquinolin-5-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide?
N-(8-methylquinolin-5-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 374.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methylquinolin-5-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 38267885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).