N-(2,4-dimethoxyphenyl)-6-methylchromen-4-imine

C18H17NO3 — CID 735409

IUPACN-(2,4-dimethoxyphenyl)-6-methylchromen-4-imine
SMILESCOc1ccc(/N=c2\ccoc3ccc(C)cc23)c(OC)c1
InChIInChI=1S/C18H17NO3/c1-12-4-7-17-14(10-12)15(8-9-22-17)19-16-6-5-13(20-2)11-18(16)21-3/h4-11H,1-3H3/b19-15+
InChIKeyYBOATQBBOKWNOU-XDJHFCHBSA-N
MW295.34 g/mol
LogP3.99
Rot. Bonds3

About N-(2,4-dimethoxyphenyl)-6-methylchromen-4-imine

N-(2,4-dimethoxyphenyl)-6-methylchromen-4-imine (PubChem CID 735409) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-6-methylchromen-4-imine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-6-methylchromen-4-imine
PubChem CID735409
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC NameN-(2,4-dimethoxyphenyl)-6-methylchromen-4-imine
SMILESCOc1ccc(/N=c2\ccoc3ccc(C)cc23)c(OC)c1
InChIInChI=1S/C18H17NO3/c1-12-4-7-17-14(10-12)15(8-9-22-17)19-16-6-5-13(20-2)11-18(16)21-3/h4-11H,1-3H3/b19-15+
InChIKeyYBOATQBBOKWNOU-XDJHFCHBSA-N
XLogP3.99
TPSA43.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-6-methylchromen-4-imine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-6-methylchromen-4-imine (CID 735409) is N-(2,4-dimethoxyphenyl)-6-methylchromen-4-imine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-6-methylchromen-4-imine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-6-methylchromen-4-imine is COc1ccc(/N=c2\ccoc3ccc(C)cc23)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-6-methylchromen-4-imine?
The InChIKey is YBOATQBBOKWNOU-XDJHFCHBSA-N. The full InChI is InChI=1S/C18H17NO3/c1-12-4-7-17-14(10-12)15(8-9-22-17)19-16-6-5-13(20-2)11-18(16)21-3/h4-11H,1-3H3/b19-15+.
What are the key properties of N-(2,4-dimethoxyphenyl)-6-methylchromen-4-imine?
N-(2,4-dimethoxyphenyl)-6-methylchromen-4-imine has a molecular weight of 295.34 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-6-methylchromen-4-imine is sourced from PubChem (CID 735409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).