2-methyl-3-nitro-N-quinolin-3-ylbenzamide

C17H13N3O3 — CID 4079471

IUPAC2-methyl-3-nitro-N-quinolin-3-ylbenzamide
SMILESCc1c(C(=O)Nc2cnc3ccccc3c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C17H13N3O3/c1-11-14(6-4-8-16(11)20(22)23)17(21)19-13-9-12-5-2-3-7-15(12)18-10-13/h2-10H,1H3,(H,19,21)
InChIKeyARCCBZNTMFXJPT-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.70
Rot. Bonds3

About 2-methyl-3-nitro-N-quinolin-3-ylbenzamide

2-methyl-3-nitro-N-quinolin-3-ylbenzamide (PubChem CID 4079471) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-methyl-3-nitro-N-quinolin-3-ylbenzamide.

Molecular Properties

Compound Name2-methyl-3-nitro-N-quinolin-3-ylbenzamide
PubChem CID4079471
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name2-methyl-3-nitro-N-quinolin-3-ylbenzamide
SMILESCc1c(C(=O)Nc2cnc3ccccc3c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C17H13N3O3/c1-11-14(6-4-8-16(11)20(22)23)17(21)19-13-9-12-5-2-3-7-15(12)18-10-13/h2-10H,1H3,(H,19,21)
InChIKeyARCCBZNTMFXJPT-UHFFFAOYSA-N
XLogP3.70
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.70
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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Related Compounds

3-amino-2-methyl-N-quinolin-3-ylbenzamide
CID 61111679
2-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3644824
N-(6-bromo-3-pyridinyl)-2-methyl-3-nitrobenzamide
CID 103789431
2-methyl-N-(4-methylphenyl)-3-nitrobenzamide
CID 779960
N-(3,4-dimethylphenyl)-2-methyl-3-nitrobenzamide
CID 5187625
N-(3-bromophenyl)-2-methyl-3-nitrobenzamide
CID 799056
N-(3-chlorophenyl)-2-methyl-3-nitrobenzamide
CID 803481
N-[4-[(2-methyl-3-nitrobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 17018305
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitrobenzamide
CID 2281557
2,4,5-trimethoxy-N-quinolin-3-ylbenzamide
CID 18146468
N-(3-formylphenyl)-2-methyl-3-nitrobenzamide
CID 106912464
2-amino-3-chloro-N-quinolin-3-ylbenzamide
CID 115540223

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-nitro-N-quinolin-3-ylbenzamide?
The IUPAC name of 2-methyl-3-nitro-N-quinolin-3-ylbenzamide (CID 4079471) is 2-methyl-3-nitro-N-quinolin-3-ylbenzamide.
What is the SMILES notation for 2-methyl-3-nitro-N-quinolin-3-ylbenzamide?
The canonical SMILES for 2-methyl-3-nitro-N-quinolin-3-ylbenzamide is Cc1c(C(=O)Nc2cnc3ccccc3c2)cccc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-3-nitro-N-quinolin-3-ylbenzamide?
The InChIKey is ARCCBZNTMFXJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c1-11-14(6-4-8-16(11)20(22)23)17(21)19-13-9-12-5-2-3-7-15(12)18-10-13/h2-10H,1H3,(H,19,21).
What are the key properties of 2-methyl-3-nitro-N-quinolin-3-ylbenzamide?
2-methyl-3-nitro-N-quinolin-3-ylbenzamide has a molecular weight of 307.31 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-nitro-N-quinolin-3-ylbenzamide is sourced from PubChem (CID 4079471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).