N-[(Z)-[2-(4-methoxyphenyl)-6,7-dimethylchromen-4-ylidene]amino]aniline

C24H22N2O2 — CID 7730775

IUPACN-[(Z)-[2-(4-methoxyphenyl)-6,7-dimethylchromen-4-ylidene]amino]aniline
SMILESCOc1ccc(-c2c/c(=N/Nc3ccccc3)c3cc(C)c(C)cc3o2)cc1
InChIInChI=1S/C24H22N2O2/c1-16-13-21-22(26-25-19-7-5-4-6-8-19)15-23(28-24(21)14-17(16)2)18-9-11-20(27-3)12-10-18/h4-15,25H,1-3H3/b26-22-
InChIKeyGLWIMNYKPQSQDZ-ROMGYVFFSA-N
MW370.45 g/mol
LogP5.65
Rot. Bonds4

About N-[(Z)-[2-(4-methoxyphenyl)-6,7-dimethylchromen-4-ylidene]amino]aniline

N-[(Z)-[2-(4-methoxyphenyl)-6,7-dimethylchromen-4-ylidene]amino]aniline (PubChem CID 7730775) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[(Z)-[2-(4-methoxyphenyl)-6,7-dimethylchromen-4-ylidene]amino]aniline.

Molecular Properties

Compound NameN-[(Z)-[2-(4-methoxyphenyl)-6,7-dimethylchromen-4-ylidene]amino]aniline
PubChem CID7730775
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC NameN-[(Z)-[2-(4-methoxyphenyl)-6,7-dimethylchromen-4-ylidene]amino]aniline
SMILESCOc1ccc(-c2c/c(=N/Nc3ccccc3)c3cc(C)c(C)cc3o2)cc1
InChIInChI=1S/C24H22N2O2/c1-16-13-21-22(26-25-19-7-5-4-6-8-19)15-23(28-24(21)14-17(16)2)18-9-11-20(27-3)12-10-18/h4-15,25H,1-3H3/b26-22-
InChIKeyGLWIMNYKPQSQDZ-ROMGYVFFSA-N
XLogP5.65
TPSA46.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(4-methoxyphenyl)-6,7-dimethylchromen-4-ylidene]amino]aniline?
The IUPAC name of N-[(Z)-[2-(4-methoxyphenyl)-6,7-dimethylchromen-4-ylidene]amino]aniline (CID 7730775) is N-[(Z)-[2-(4-methoxyphenyl)-6,7-dimethylchromen-4-ylidene]amino]aniline.
What is the SMILES notation for N-[(Z)-[2-(4-methoxyphenyl)-6,7-dimethylchromen-4-ylidene]amino]aniline?
The canonical SMILES for N-[(Z)-[2-(4-methoxyphenyl)-6,7-dimethylchromen-4-ylidene]amino]aniline is COc1ccc(-c2c/c(=N/Nc3ccccc3)c3cc(C)c(C)cc3o2)cc1.
What is the InChIKey of N-[(Z)-[2-(4-methoxyphenyl)-6,7-dimethylchromen-4-ylidene]amino]aniline?
The InChIKey is GLWIMNYKPQSQDZ-ROMGYVFFSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-16-13-21-22(26-25-19-7-5-4-6-8-19)15-23(28-24(21)14-17(16)2)18-9-11-20(27-3)12-10-18/h4-15,25H,1-3H3/b26-22-.
What are the key properties of N-[(Z)-[2-(4-methoxyphenyl)-6,7-dimethylchromen-4-ylidene]amino]aniline?
N-[(Z)-[2-(4-methoxyphenyl)-6,7-dimethylchromen-4-ylidene]amino]aniline has a molecular weight of 370.45 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(4-methoxyphenyl)-6,7-dimethylchromen-4-ylidene]amino]aniline is sourced from PubChem (CID 7730775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).