2-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-5,7-dimethylchromen-4-imine

C26H25NO4 — CID 7729878

IUPAC2-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-5,7-dimethylchromen-4-imine
SMILESCOc1cccc(/N=c2\cc(-c3ccc(OC)c(OC)c3)oc3cc(C)cc(C)c23)c1
InChIInChI=1S/C26H25NO4/c1-16-11-17(2)26-21(27-19-7-6-8-20(14-19)28-3)15-23(31-25(26)12-16)18-9-10-22(29-4)24(13-18)30-5/h6-15H,1-5H3/b27-21+
InChIKeyLJDGYZVFRDIFLT-SZXQPVLSSA-N
MW415.49 g/mol
LogP5.97
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-5,7-dimethylchromen-4-imine

2-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-5,7-dimethylchromen-4-imine (PubChem CID 7729878) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-5,7-dimethylchromen-4-imine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-5,7-dimethylchromen-4-imine
PubChem CID7729878
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-5,7-dimethylchromen-4-imine
SMILESCOc1cccc(/N=c2\cc(-c3ccc(OC)c(OC)c3)oc3cc(C)cc(C)c23)c1
InChIInChI=1S/C26H25NO4/c1-16-11-17(2)26-21(27-19-7-6-8-20(14-19)28-3)15-23(31-25(26)12-16)18-9-10-22(29-4)24(13-18)30-5/h6-15H,1-5H3/b27-21+
InChIKeyLJDGYZVFRDIFLT-SZXQPVLSSA-N
XLogP5.97
TPSA53.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-phenylchromen-4-imine
CID 7729859
(NE)-N-[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]hydroxylamine
CID 6871166
4-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]benzenesulfonamide
CID 20998884
(E)-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(1,3-thiazol-2-yl)chromen-4-imine
CID 20998887
4-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 20998885
methyl 2-[(E)-[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 20998888
2-[2-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]ethoxy]ethanol
CID 7729855
(E)-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)chromen-4-imine
CID 20998891
2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(oxolan-2-ylmethyl)chromen-4-imine
CID 20998852
N-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)-5,7-dimethylchromen-4-imine
CID 20998835
4-[(4E)-5,7-dimethyl-4-(quinolin-1-ium-2-ylhydrazinylidene)chromen-2-yl]-2-methoxyphenol
CID 135615069
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-6-methylchromen-4-imine;perchloric acid
CID 18593861

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-5,7-dimethylchromen-4-imine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-5,7-dimethylchromen-4-imine (CID 7729878) is 2-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-5,7-dimethylchromen-4-imine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-5,7-dimethylchromen-4-imine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-5,7-dimethylchromen-4-imine is COc1cccc(/N=c2\cc(-c3ccc(OC)c(OC)c3)oc3cc(C)cc(C)c23)c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-5,7-dimethylchromen-4-imine?
The InChIKey is LJDGYZVFRDIFLT-SZXQPVLSSA-N. The full InChI is InChI=1S/C26H25NO4/c1-16-11-17(2)26-21(27-19-7-6-8-20(14-19)28-3)15-23(31-25(26)12-16)18-9-10-22(29-4)24(13-18)30-5/h6-15H,1-5H3/b27-21+.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-5,7-dimethylchromen-4-imine?
2-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-5,7-dimethylchromen-4-imine has a molecular weight of 415.49 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-5,7-dimethylchromen-4-imine is sourced from PubChem (CID 7729878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).