2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-phenylchromen-4-imine

C25H23NO3 — CID 7729859

IUPAC2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-phenylchromen-4-imine
SMILESCOc1ccc(-c2c/c(=N\c3ccccc3)c3c(C)cc(C)cc3o2)cc1OC
InChIInChI=1S/C25H23NO3/c1-16-12-17(2)25-20(26-19-8-6-5-7-9-19)15-22(29-24(25)13-16)18-10-11-21(27-3)23(14-18)28-4/h5-15H,1-4H3/b26-20+
InChIKeyLKGTZFDNTURESD-LHLOQNFPSA-N
MW385.46 g/mol
LogP5.97
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-phenylchromen-4-imine

2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-phenylchromen-4-imine (PubChem CID 7729859) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-phenylchromen-4-imine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-phenylchromen-4-imine
PubChem CID7729859
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-phenylchromen-4-imine
SMILESCOc1ccc(-c2c/c(=N\c3ccccc3)c3c(C)cc(C)cc3o2)cc1OC
InChIInChI=1S/C25H23NO3/c1-16-12-17(2)25-20(26-19-8-6-5-7-9-19)15-22(29-24(25)13-16)18-10-11-21(27-3)23(14-18)28-4/h5-15H,1-4H3/b26-20+
InChIKeyLKGTZFDNTURESD-LHLOQNFPSA-N
XLogP5.97
TPSA43.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.46
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-5,7-dimethylchromen-4-imine
CID 7729878
4-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]benzenesulfonamide
CID 20998884
(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]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 20998885
(E)-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(1,3-thiazol-2-yl)chromen-4-imine
CID 20998887
2-[2-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]ethoxy]ethanol
CID 7729855
methyl 2-[(E)-[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 20998888
2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(oxolan-2-ylmethyl)chromen-4-imine
CID 20998852
(E)-2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)chromen-4-imine
CID 20998891
4-[(4E)-5,7-dimethyl-4-(quinolin-1-ium-2-ylhydrazinylidene)chromen-2-yl]-2-methoxyphenol
CID 135615069
4-[(5,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 20997924
4-[(4E)-5,7-dimethyl-4-(quinazolin-4-ylhydrazinylidene)chromen-2-yl]-2-methoxyphenol
CID 135684360

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-phenylchromen-4-imine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-phenylchromen-4-imine (CID 7729859) is 2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-phenylchromen-4-imine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-phenylchromen-4-imine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-phenylchromen-4-imine is COc1ccc(-c2c/c(=N\c3ccccc3)c3c(C)cc(C)cc3o2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-phenylchromen-4-imine?
The InChIKey is LKGTZFDNTURESD-LHLOQNFPSA-N. The full InChI is InChI=1S/C25H23NO3/c1-16-12-17(2)25-20(26-19-8-6-5-7-9-19)15-22(29-24(25)13-16)18-10-11-21(27-3)23(14-18)28-4/h5-15H,1-4H3/b26-20+.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-phenylchromen-4-imine?
2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-phenylchromen-4-imine has a molecular weight of 385.46 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-phenylchromen-4-imine is sourced from PubChem (CID 7729859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).