N-(6-nitroquinolin-5-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide

C24H21N3O4 — CID 21048231

IUPACN-(6-nitroquinolin-5-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
SMILESCc1cc(C)c(Cc2ccc(C(=O)Nc3c([N+](=O)[O-])ccc4ncccc34)o2)c(C)c1
InChIInChI=1S/C24H21N3O4/c1-14-11-15(2)19(16(3)12-14)13-17-6-9-22(31-17)24(28)26-23-18-5-4-10-25-20(18)7-8-21(23)27(29)30/h4-12H,13H2,1-3H3,(H,26,28)
InChIKeyRNCPSXHTMHEGRI-UHFFFAOYSA-N
MW415.45 g/mol
LogP5.50
Rot. Bonds5

About N-(6-nitroquinolin-5-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide

N-(6-nitroquinolin-5-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide (PubChem CID 21048231) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-(6-nitroquinolin-5-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-nitroquinolin-5-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
PubChem CID21048231
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC NameN-(6-nitroquinolin-5-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
SMILESCc1cc(C)c(Cc2ccc(C(=O)Nc3c([N+](=O)[O-])ccc4ncccc34)o2)c(C)c1
InChIInChI=1S/C24H21N3O4/c1-14-11-15(2)19(16(3)12-14)13-17-6-9-22(31-17)24(28)26-23-18-5-4-10-25-20(18)7-8-21(23)27(29)30/h4-12H,13H2,1-3H3,(H,26,28)
InChIKeyRNCPSXHTMHEGRI-UHFFFAOYSA-N
XLogP5.50
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.45
LogP ≤ 55.50
H-Bond Donors ≤ 51
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-(2-hydroxy-6-methylphenyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047427
N-[5-(hydroxymethyl)-2-methylphenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21048133
N-(2-acetyl-4,5-dimethoxyphenyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047245
N-(4-methyl-1,3-benzothiazol-2-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21048030
5-[(3-methyl-4-nitrophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19461593
5-nitro-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
CID 17146023
ethyl 4-methyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]pyrimidine-5-carboxylate
CID 21046433
7-methyl-5-nitroquinoline
CID 137347294
N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21046837
N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21048084
N-[(2,6-dimethoxyphenyl)methyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047231
ethyl 2-phenyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate
CID 21046445

Frequently Asked Questions

What is the IUPAC name of N-(6-nitroquinolin-5-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-(6-nitroquinolin-5-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide (CID 21048231) is N-(6-nitroquinolin-5-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(6-nitroquinolin-5-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(6-nitroquinolin-5-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide is Cc1cc(C)c(Cc2ccc(C(=O)Nc3c([N+](=O)[O-])ccc4ncccc34)o2)c(C)c1.
What is the InChIKey of N-(6-nitroquinolin-5-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide?
The InChIKey is RNCPSXHTMHEGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-14-11-15(2)19(16(3)12-14)13-17-6-9-22(31-17)24(28)26-23-18-5-4-10-25-20(18)7-8-21(23)27(29)30/h4-12H,13H2,1-3H3,(H,26,28).
What are the key properties of N-(6-nitroquinolin-5-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide?
N-(6-nitroquinolin-5-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-nitroquinolin-5-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 21048231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).