N-[(Z)-[6,8-dichloro-2-(4-methoxyphenyl)chromen-4-ylidene]amino]aniline

C22H16Cl2N2O2 — CID 7730821

IUPACN-[(Z)-[6,8-dichloro-2-(4-methoxyphenyl)chromen-4-ylidene]amino]aniline
SMILESCOc1ccc(-c2c/c(=N/Nc3ccccc3)c3cc(Cl)cc(Cl)c3o2)cc1
InChIInChI=1S/C22H16Cl2N2O2/c1-27-17-9-7-14(8-10-17)21-13-20(26-25-16-5-3-2-4-6-16)18-11-15(23)12-19(24)22(18)28-21/h2-13,25H,1H3/b26-20-
InChIKeyGABLJYIDOMQZAE-QOMWVZHYSA-N
MW411.29 g/mol
LogP6.34
Rot. Bonds4

About N-[(Z)-[6,8-dichloro-2-(4-methoxyphenyl)chromen-4-ylidene]amino]aniline

N-[(Z)-[6,8-dichloro-2-(4-methoxyphenyl)chromen-4-ylidene]amino]aniline (PubChem CID 7730821) has the molecular formula C22H16Cl2N2O2 and a molecular weight of 411.29 g/mol. Its IUPAC name is N-[(Z)-[6,8-dichloro-2-(4-methoxyphenyl)chromen-4-ylidene]amino]aniline.

Molecular Properties

Compound NameN-[(Z)-[6,8-dichloro-2-(4-methoxyphenyl)chromen-4-ylidene]amino]aniline
PubChem CID7730821
Molecular FormulaC22H16Cl2N2O2
Molecular Weight411.29 g/mol
Exact Mass410.06
IUPAC NameN-[(Z)-[6,8-dichloro-2-(4-methoxyphenyl)chromen-4-ylidene]amino]aniline
SMILESCOc1ccc(-c2c/c(=N/Nc3ccccc3)c3cc(Cl)cc(Cl)c3o2)cc1
InChIInChI=1S/C22H16Cl2N2O2/c1-27-17-9-7-14(8-10-17)21-13-20(26-25-16-5-3-2-4-6-16)18-11-15(23)12-19(24)22(18)28-21/h2-13,25H,1H3/b26-20-
InChIKeyGABLJYIDOMQZAE-QOMWVZHYSA-N
XLogP6.34
TPSA46.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.29
LogP ≤ 56.34
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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Related Compounds

N-[(Z)-[2-(4-methoxyphenyl)-6,7-dimethylchromen-4-ylidene]amino]aniline
CID 7730775
4-[(4E)-6,8-dichloro-4-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]chromen-2-yl]-2-methoxyphenol
CID 135715907
N-[[2-(4-methoxyphenyl)-6,8-dimethylchromen-4-ylidene]amino]-1H-benzimidazol-3-ium-2-amine
CID 135488716
4,9,14-tris(4-methoxyphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 102345821
N-[(Z)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]aniline
CID 7730745
3-chloro-5-(4-methoxyphenyl)-2-methylfuran
CID 14592116
6,8-dichloro-2-(4-chlorophenyl)chromen-4-one
CID 688877
N-[(Z)-[5,7-dimethoxy-3-(4-methoxyphenyl)-1-methylquinolin-2-ylidene]amino]aniline
CID 10884201
(NZ)-N-[6-chloro-2-(4-methoxyphenyl)-7-methylchromen-4-ylidene]hydroxylamine
CID 7730715
N-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)-5,7-dimethylchromen-4-imine
CID 20998835
2-(4-methoxyphenyl)-N-pyrrol-1-ylchromen-4-imine
CID 2325646
2-(4-methoxyphenyl)-1-benzofuran
CID 10727834

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[6,8-dichloro-2-(4-methoxyphenyl)chromen-4-ylidene]amino]aniline?
The IUPAC name of N-[(Z)-[6,8-dichloro-2-(4-methoxyphenyl)chromen-4-ylidene]amino]aniline (CID 7730821) is N-[(Z)-[6,8-dichloro-2-(4-methoxyphenyl)chromen-4-ylidene]amino]aniline.
What is the SMILES notation for N-[(Z)-[6,8-dichloro-2-(4-methoxyphenyl)chromen-4-ylidene]amino]aniline?
The canonical SMILES for N-[(Z)-[6,8-dichloro-2-(4-methoxyphenyl)chromen-4-ylidene]amino]aniline is COc1ccc(-c2c/c(=N/Nc3ccccc3)c3cc(Cl)cc(Cl)c3o2)cc1.
What is the InChIKey of N-[(Z)-[6,8-dichloro-2-(4-methoxyphenyl)chromen-4-ylidene]amino]aniline?
The InChIKey is GABLJYIDOMQZAE-QOMWVZHYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O2/c1-27-17-9-7-14(8-10-17)21-13-20(26-25-16-5-3-2-4-6-16)18-11-15(23)12-19(24)22(18)28-21/h2-13,25H,1H3/b26-20-.
What are the key properties of N-[(Z)-[6,8-dichloro-2-(4-methoxyphenyl)chromen-4-ylidene]amino]aniline?
N-[(Z)-[6,8-dichloro-2-(4-methoxyphenyl)chromen-4-ylidene]amino]aniline has a molecular weight of 411.29 g/mol, XLogP of 6.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[6,8-dichloro-2-(4-methoxyphenyl)chromen-4-ylidene]amino]aniline is sourced from PubChem (CID 7730821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).