N-(1-methyl-6-nitro-2H-quinolin-2-yl)benzamide

C17H15N3O3 — CID 138858167

IUPACN-(1-methyl-6-nitro-2H-quinolin-2-yl)benzamide
SMILESCN1c2ccc([N+](=O)[O-])cc2C=CC1NC(=O)c1ccccc1
InChIInChI=1S/C17H15N3O3/c1-19-15-9-8-14(20(22)23)11-13(15)7-10-16(19)18-17(21)12-5-3-2-4-6-12/h2-11,16H,1H3,(H,18,21)
InChIKeyTUSSJYSPHJWONQ-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.81
Rot. Bonds3

About N-(1-methyl-6-nitro-2H-quinolin-2-yl)benzamide

N-(1-methyl-6-nitro-2H-quinolin-2-yl)benzamide (PubChem CID 138858167) has the molecular formula C17H15N3O3 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-(1-methyl-6-nitro-2H-quinolin-2-yl)benzamide.

Molecular Properties

Compound NameN-(1-methyl-6-nitro-2H-quinolin-2-yl)benzamide
PubChem CID138858167
Molecular FormulaC17H15N3O3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC NameN-(1-methyl-6-nitro-2H-quinolin-2-yl)benzamide
SMILESCN1c2ccc([N+](=O)[O-])cc2C=CC1NC(=O)c1ccccc1
InChIInChI=1S/C17H15N3O3/c1-19-15-9-8-14(20(22)23)11-13(15)7-10-16(19)18-17(21)12-5-3-2-4-6-12/h2-11,16H,1H3,(H,18,21)
InChIKeyTUSSJYSPHJWONQ-UHFFFAOYSA-N
XLogP2.81
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-6-nitro-2H-quinolin-2-yl)benzamide?
The IUPAC name of N-(1-methyl-6-nitro-2H-quinolin-2-yl)benzamide (CID 138858167) is N-(1-methyl-6-nitro-2H-quinolin-2-yl)benzamide.
What is the SMILES notation for N-(1-methyl-6-nitro-2H-quinolin-2-yl)benzamide?
The canonical SMILES for N-(1-methyl-6-nitro-2H-quinolin-2-yl)benzamide is CN1c2ccc([N+](=O)[O-])cc2C=CC1NC(=O)c1ccccc1.
What is the InChIKey of N-(1-methyl-6-nitro-2H-quinolin-2-yl)benzamide?
The InChIKey is TUSSJYSPHJWONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-19-15-9-8-14(20(22)23)11-13(15)7-10-16(19)18-17(21)12-5-3-2-4-6-12/h2-11,16H,1H3,(H,18,21).
What are the key properties of N-(1-methyl-6-nitro-2H-quinolin-2-yl)benzamide?
N-(1-methyl-6-nitro-2H-quinolin-2-yl)benzamide has a molecular weight of 309.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-6-nitro-2H-quinolin-2-yl)benzamide is sourced from PubChem (CID 138858167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).