2-(2-methoxyphenyl)imino-N-(3-methylphenyl)-6-nitrochromene-3-carboxamide

C24H19N3O5 — CID 4673012

IUPAC2-(2-methoxyphenyl)imino-N-(3-methylphenyl)-6-nitrochromene-3-carboxamide
SMILESCOc1ccccc1/N=c1\oc2ccc([N+](=O)[O-])cc2cc1C(=O)Nc1cccc(C)c1
InChIInChI=1S/C24H19N3O5/c1-15-6-5-7-17(12-15)25-23(28)19-14-16-13-18(27(29)30)10-11-21(16)32-24(19)26-20-8-3-4-9-22(20)31-2/h3-14H,1-2H3,(H,25,28)/b26-24-
InChIKeyRGESQWBRHYJURJ-LCUIJRPUSA-N
MW429.43 g/mol
LogP5.14
Rot. Bonds5

About 2-(2-methoxyphenyl)imino-N-(3-methylphenyl)-6-nitrochromene-3-carboxamide

2-(2-methoxyphenyl)imino-N-(3-methylphenyl)-6-nitrochromene-3-carboxamide (PubChem CID 4673012) has the molecular formula C24H19N3O5 and a molecular weight of 429.43 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)imino-N-(3-methylphenyl)-6-nitrochromene-3-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)imino-N-(3-methylphenyl)-6-nitrochromene-3-carboxamide
PubChem CID4673012
Molecular FormulaC24H19N3O5
Molecular Weight429.43 g/mol
Exact Mass429.13
IUPAC Name2-(2-methoxyphenyl)imino-N-(3-methylphenyl)-6-nitrochromene-3-carboxamide
SMILESCOc1ccccc1/N=c1\oc2ccc([N+](=O)[O-])cc2cc1C(=O)Nc1cccc(C)c1
InChIInChI=1S/C24H19N3O5/c1-15-6-5-7-17(12-15)25-23(28)19-14-16-13-18(27(29)30)10-11-21(16)32-24(19)26-20-8-3-4-9-22(20)31-2/h3-14H,1-2H3,(H,25,28)/b26-24-
InChIKeyRGESQWBRHYJURJ-LCUIJRPUSA-N
XLogP5.14
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.43
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-methoxyphenyl)imino-N-(3-methylphenyl)-6-nitrochromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxyphenyl)-2-(2-methoxyphenyl)imino-6-nitrochromene-3-carboxamide
CID 3954525
6-bromo-N-(3-methoxyphenyl)-2-(2-methoxyphenyl)iminochromene-3-carboxamide
CID 4297288
N-acetyl-2-(3-methylphenyl)imino-6-nitrochromene-3-carboxamide
CID 4053248
2-(3-methylphenyl)imino-6-nitro-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 4050937
6-nitro-2-oxo-N-phenylchromene-3-carboxamide
CID 739350
2-hydroxyimino-N-(3-methylphenyl)chromene-3-carboxamide
CID 4313217
N-acetyl-2-(4-methoxyphenyl)imino-6-nitrochromene-3-carboxamide
CID 3635457
N-(3-methoxyphenyl)-2-(4-methylphenyl)iminochromene-3-carboxamide
CID 3963313
N-(3-hydroxyphenyl)-6-nitro-2-oxochromene-3-carboxamide
CID 792576
2-(2-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 53334824
6-chloro-N-(3-methoxyphenyl)-2-phenyliminochromene-3-carboxamide
CID 3577385
2-(2,3-dimethylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 986292

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)imino-N-(3-methylphenyl)-6-nitrochromene-3-carboxamide?
The IUPAC name of 2-(2-methoxyphenyl)imino-N-(3-methylphenyl)-6-nitrochromene-3-carboxamide (CID 4673012) is 2-(2-methoxyphenyl)imino-N-(3-methylphenyl)-6-nitrochromene-3-carboxamide.
What is the SMILES notation for 2-(2-methoxyphenyl)imino-N-(3-methylphenyl)-6-nitrochromene-3-carboxamide?
The canonical SMILES for 2-(2-methoxyphenyl)imino-N-(3-methylphenyl)-6-nitrochromene-3-carboxamide is COc1ccccc1/N=c1\oc2ccc([N+](=O)[O-])cc2cc1C(=O)Nc1cccc(C)c1.
What is the InChIKey of 2-(2-methoxyphenyl)imino-N-(3-methylphenyl)-6-nitrochromene-3-carboxamide?
The InChIKey is RGESQWBRHYJURJ-LCUIJRPUSA-N. The full InChI is InChI=1S/C24H19N3O5/c1-15-6-5-7-17(12-15)25-23(28)19-14-16-13-18(27(29)30)10-11-21(16)32-24(19)26-20-8-3-4-9-22(20)31-2/h3-14H,1-2H3,(H,25,28)/b26-24-.
What are the key properties of 2-(2-methoxyphenyl)imino-N-(3-methylphenyl)-6-nitrochromene-3-carboxamide?
2-(2-methoxyphenyl)imino-N-(3-methylphenyl)-6-nitrochromene-3-carboxamide has a molecular weight of 429.43 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)imino-N-(3-methylphenyl)-6-nitrochromene-3-carboxamide is sourced from PubChem (CID 4673012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).