(2,4-dimethoxyphenyl)methyl-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-methylazanium

C22H26NO4+ — CID 2689355

IUPAC(2,4-dimethoxyphenyl)methyl-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-methylazanium
SMILESCOc1ccc(C[NH+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)c(OC)c1
InChIInChI=1S/C22H25NO4/c1-14-6-9-19-17(10-21(24)27-22(19)15(14)2)13-23(3)12-16-7-8-18(25-4)11-20(16)26-5/h6-11H,12-13H2,1-5H3/p+1
InChIKeyJXFXIJQKOUNFCS-UHFFFAOYSA-O
MW368.45 g/mol
LogP2.64
Rot. Bonds6

About (2,4-dimethoxyphenyl)methyl-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-methylazanium

(2,4-dimethoxyphenyl)methyl-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-methylazanium (PubChem CID 2689355) has the molecular formula C22H26NO4+ and a molecular weight of 368.45 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)methyl-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-methylazanium.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)methyl-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-methylazanium
PubChem CID2689355
Molecular FormulaC22H26NO4+
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name(2,4-dimethoxyphenyl)methyl-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-methylazanium
SMILESCOc1ccc(C[NH+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)c(OC)c1
InChIInChI=1S/C22H25NO4/c1-14-6-9-19-17(10-21(24)27-22(19)15(14)2)13-23(3)12-16-7-8-18(25-4)11-20(16)26-5/h6-11H,12-13H2,1-5H3/p+1
InChIKeyJXFXIJQKOUNFCS-UHFFFAOYSA-O
XLogP2.64
TPSA53.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

(7,8-dimethyl-2-oxochromen-4-yl)methyl (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 6273303
(7,8-dimethyl-2-oxochromen-4-yl)methyl-bis(furan-2-ylmethyl)azanium
CID 8841537
[2-(diethylamino)-2-oxoethyl]-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-methylazanium
CID 8692628
(7,8-dimethyl-2-oxochromen-4-yl)methyl-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 9302633
[(1S)-2-[(7,8-dimethyl-2-oxochromen-4-yl)methylazaniumyl]-1-(3-methoxyphenyl)ethyl]-dimethylazanium
CID 9263032
4-(bromomethyl)-7,8-dimethylchromen-2-one
CID 91484430
4-[(5-chloro-2-methoxyanilino)methyl]-7,8-dimethylchromen-2-one
CID 9346165
7,8-dimethyl-4-(phenoxymethyl)chromen-2-one
CID 7818186
(7,8-dimethyl-2-oxochromen-4-yl)methyl 3-(4-methoxyphenyl)prop-2-enoate
CID 4532274
7,8-dimethyl-4-[(4-phenylphenoxy)methyl]chromen-2-one
CID 4850177
(4-ethoxyphenyl)methyl-[(7-methoxy-2-oxochromen-4-yl)methyl]-methylazanium
CID 8024114
N-[(2,4-dimethoxyphenyl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
CID 27774295

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)methyl-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-methylazanium?
The IUPAC name of (2,4-dimethoxyphenyl)methyl-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-methylazanium (CID 2689355) is (2,4-dimethoxyphenyl)methyl-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-methylazanium.
What is the SMILES notation for (2,4-dimethoxyphenyl)methyl-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-methylazanium?
The canonical SMILES for (2,4-dimethoxyphenyl)methyl-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-methylazanium is COc1ccc(C[NH+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)methyl-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-methylazanium?
The InChIKey is JXFXIJQKOUNFCS-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H25NO4/c1-14-6-9-19-17(10-21(24)27-22(19)15(14)2)13-23(3)12-16-7-8-18(25-4)11-20(16)26-5/h6-11H,12-13H2,1-5H3/p+1.
What are the key properties of (2,4-dimethoxyphenyl)methyl-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-methylazanium?
(2,4-dimethoxyphenyl)methyl-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-methylazanium has a molecular weight of 368.45 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)methyl-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-methylazanium is sourced from PubChem (CID 2689355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).