N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide

C25H21N3O5 — CID 1416098

IUPACN-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide
SMILESCOc1ccccc1N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C25H21N3O5/c1-16-6-5-7-18-14-19(24(29)26-23(16)18)15-27(21-8-3-4-9-22(21)33-2)25(30)17-10-12-20(13-11-17)28(31)32/h3-14H,15H2,1-2H3,(H,26,29)
InChIKeyQBQDTGHRHZSQNH-UHFFFAOYSA-N
MW443.46 g/mol
LogP4.60
Rot. Bonds6

About N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide

N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide (PubChem CID 1416098) has the molecular formula C25H21N3O5 and a molecular weight of 443.46 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide
PubChem CID1416098
Molecular FormulaC25H21N3O5
Molecular Weight443.46 g/mol
Exact Mass443.15
IUPAC NameN-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide
SMILESCOc1ccccc1N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C25H21N3O5/c1-16-6-5-7-18-14-19(24(29)26-23(16)18)15-27(21-8-3-4-9-22(21)33-2)25(30)17-10-12-20(13-11-17)28(31)32/h3-14H,15H2,1-2H3,(H,26,29)
InChIKeyQBQDTGHRHZSQNH-UHFFFAOYSA-N
XLogP4.60
TPSA105.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 54.60
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

3,4-dimethoxy-N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1386980
N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide
CID 1390805
N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
CID 5004431
N-cyclohexyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide
CID 4005326
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)pyridine-4-carboxamide
CID 3682103
4-methoxy-N-(3-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1422005
N-(3,4-dimethylphenyl)-2-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1410281
3-chloro-N-(2,3-dimethylphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 46262354
2,2-dimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)propanamide
CID 2010254
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitro-N-phenylbenzamide
CID 1424779
N-(4-ethoxyphenyl)-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1418449
2-chloro-N-(2-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3565532

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide?
The IUPAC name of N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide (CID 1416098) is N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide?
The canonical SMILES for N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide is COc1ccccc1N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide?
The InChIKey is QBQDTGHRHZSQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O5/c1-16-6-5-7-18-14-19(24(29)26-23(16)18)15-27(21-8-3-4-9-22(21)33-2)25(30)17-10-12-20(13-11-17)28(31)32/h3-14H,15H2,1-2H3,(H,26,29).
What are the key properties of N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide?
N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide has a molecular weight of 443.46 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide is sourced from PubChem (CID 1416098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).