N-methyl-5-nitro-2-(2-quinolin-8-ylethylamino)benzamide

C19H18N4O3 — CID 87020903

IUPACN-methyl-5-nitro-2-(2-quinolin-8-ylethylamino)benzamide
SMILESCNC(=O)c1cc([N+](=O)[O-])ccc1NCCc1cccc2cccnc12
InChIInChI=1S/C19H18N4O3/c1-20-19(24)16-12-15(23(25)26)7-8-17(16)21-11-9-14-5-2-4-13-6-3-10-22-18(13)14/h2-8,10,12,21H,9,11H2,1H3,(H,20,24)
InChIKeyVQRZRIGGYJEPQB-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.16
Rot. Bonds6

About N-methyl-5-nitro-2-(2-quinolin-8-ylethylamino)benzamide

N-methyl-5-nitro-2-(2-quinolin-8-ylethylamino)benzamide (PubChem CID 87020903) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-methyl-5-nitro-2-(2-quinolin-8-ylethylamino)benzamide.

Molecular Properties

Compound NameN-methyl-5-nitro-2-(2-quinolin-8-ylethylamino)benzamide
PubChem CID87020903
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-methyl-5-nitro-2-(2-quinolin-8-ylethylamino)benzamide
SMILESCNC(=O)c1cc([N+](=O)[O-])ccc1NCCc1cccc2cccnc12
InChIInChI=1S/C19H18N4O3/c1-20-19(24)16-12-15(23(25)26)7-8-17(16)21-11-9-14-5-2-4-13-6-3-10-22-18(13)14/h2-8,10,12,21H,9,11H2,1H3,(H,20,24)
InChIKeyVQRZRIGGYJEPQB-UHFFFAOYSA-N
XLogP3.16
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-5-nitrobenzamide
CID 133305971
1-methyl-4-nitro-N-(2-quinolin-8-ylethyl)pyrrole-2-carboxamide
CID 36646719
4-[2-(methylcarbamoyl)-4-nitroanilino]butanoic acid
CID 122058634
2-[2-[(4-fluorobenzoyl)amino]ethylamino]-N-methyl-5-nitrobenzamide
CID 86839616
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
2-(methylamino)-N-naphthalen-1-yl-5-nitrobenzamide
CID 16963020
methyl 6-(2-quinolin-8-ylethylamino)pyridazine-3-carboxylate
CID 167873127
2-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]-N-methyl-5-nitrobenzamide
CID 133375805
[2-(2-chloro-4-nitroanilino)-2-oxoethyl] 2-quinolin-8-ylacetate
CID 55488507
2-(methylcarbamoyl)-4-nitrophenolate
CID 7072316
methyl 5-nitro-2-[2-(pyridin-2-ylamino)ethylamino]benzoate
CID 36566494
2-[3-(4-fluorophenyl)sulfanylpropylamino]-N-methyl-5-nitrobenzamide
CID 87020745

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-nitro-2-(2-quinolin-8-ylethylamino)benzamide?
The IUPAC name of N-methyl-5-nitro-2-(2-quinolin-8-ylethylamino)benzamide (CID 87020903) is N-methyl-5-nitro-2-(2-quinolin-8-ylethylamino)benzamide.
What is the SMILES notation for N-methyl-5-nitro-2-(2-quinolin-8-ylethylamino)benzamide?
The canonical SMILES for N-methyl-5-nitro-2-(2-quinolin-8-ylethylamino)benzamide is CNC(=O)c1cc([N+](=O)[O-])ccc1NCCc1cccc2cccnc12.
What is the InChIKey of N-methyl-5-nitro-2-(2-quinolin-8-ylethylamino)benzamide?
The InChIKey is VQRZRIGGYJEPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-20-19(24)16-12-15(23(25)26)7-8-17(16)21-11-9-14-5-2-4-13-6-3-10-22-18(13)14/h2-8,10,12,21H,9,11H2,1H3,(H,20,24).
What are the key properties of N-methyl-5-nitro-2-(2-quinolin-8-ylethylamino)benzamide?
N-methyl-5-nitro-2-(2-quinolin-8-ylethylamino)benzamide has a molecular weight of 350.38 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-nitro-2-(2-quinolin-8-ylethylamino)benzamide is sourced from PubChem (CID 87020903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).