N-(4-methoxyphenyl)-2-(2-methoxyphenyl)imino-6-nitrochromene-3-carboxamide

C24H19N3O6 — CID 3954525

IUPACN-(4-methoxyphenyl)-2-(2-methoxyphenyl)imino-6-nitrochromene-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o/c2=N\c2ccccc2OC)cc1
InChIInChI=1S/C24H19N3O6/c1-31-18-10-7-16(8-11-18)25-23(28)19-14-15-13-17(27(29)30)9-12-21(15)33-24(19)26-20-5-3-4-6-22(20)32-2/h3-14H,1-2H3,(H,25,28)/b26-24-
InChIKeyWCMQZRSAHLNRDC-LCUIJRPUSA-N
MW445.43 g/mol
LogP4.84
Rot. Bonds6

About N-(4-methoxyphenyl)-2-(2-methoxyphenyl)imino-6-nitrochromene-3-carboxamide

N-(4-methoxyphenyl)-2-(2-methoxyphenyl)imino-6-nitrochromene-3-carboxamide (PubChem CID 3954525) has the molecular formula C24H19N3O6 and a molecular weight of 445.43 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(2-methoxyphenyl)imino-6-nitrochromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(2-methoxyphenyl)imino-6-nitrochromene-3-carboxamide
PubChem CID3954525
Molecular FormulaC24H19N3O6
Molecular Weight445.43 g/mol
Exact Mass445.13
IUPAC NameN-(4-methoxyphenyl)-2-(2-methoxyphenyl)imino-6-nitrochromene-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o/c2=N\c2ccccc2OC)cc1
InChIInChI=1S/C24H19N3O6/c1-31-18-10-7-16(8-11-18)25-23(28)19-14-15-13-17(27(29)30)9-12-21(15)33-24(19)26-20-5-3-4-6-22(20)32-2/h3-14H,1-2H3,(H,25,28)/b26-24-
InChIKeyWCMQZRSAHLNRDC-LCUIJRPUSA-N
XLogP4.84
TPSA116.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.43
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

2-(2-methoxyphenyl)imino-N-(3-methylphenyl)-6-nitrochromene-3-carboxamide
CID 4673012
6-bromo-N-(3-methoxyphenyl)-2-(2-methoxyphenyl)iminochromene-3-carboxamide
CID 4297288
2-imino-N-(4-methoxyphenyl)-6-nitrochromene-3-carboxamide
CID 19573970
N-acetyl-2-(4-methoxyphenyl)imino-6-nitrochromene-3-carboxamide
CID 3635457
2-(2,3-dimethylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 986292
6-bromo-N-(4-methoxyphenyl)-2-(3-methoxyphenyl)iminochromene-3-carboxamide
CID 35218231
2-(3-fluoro-4-methoxyphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 51368055
6-nitro-2-oxo-N-phenylchromene-3-carboxamide
CID 739350
N-(4-methoxyphenyl)-5-nitro-1-benzofuran-3-carboxamide
CID 23770327
2-(2-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 53334824
2-(3-chloro-4-methylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 51368049
2-iodo-N-(4-methoxyphenyl)-4-nitrobenzamide
CID 60619486

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(2-methoxyphenyl)imino-6-nitrochromene-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(2-methoxyphenyl)imino-6-nitrochromene-3-carboxamide (CID 3954525) is N-(4-methoxyphenyl)-2-(2-methoxyphenyl)imino-6-nitrochromene-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(2-methoxyphenyl)imino-6-nitrochromene-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(2-methoxyphenyl)imino-6-nitrochromene-3-carboxamide is COc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o/c2=N\c2ccccc2OC)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(2-methoxyphenyl)imino-6-nitrochromene-3-carboxamide?
The InChIKey is WCMQZRSAHLNRDC-LCUIJRPUSA-N. The full InChI is InChI=1S/C24H19N3O6/c1-31-18-10-7-16(8-11-18)25-23(28)19-14-15-13-17(27(29)30)9-12-21(15)33-24(19)26-20-5-3-4-6-22(20)32-2/h3-14H,1-2H3,(H,25,28)/b26-24-.
What are the key properties of N-(4-methoxyphenyl)-2-(2-methoxyphenyl)imino-6-nitrochromene-3-carboxamide?
N-(4-methoxyphenyl)-2-(2-methoxyphenyl)imino-6-nitrochromene-3-carboxamide has a molecular weight of 445.43 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(2-methoxyphenyl)imino-6-nitrochromene-3-carboxamide is sourced from PubChem (CID 3954525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).