6-methoxy-4-[(N,2,4,6-tetramethylanilino)methyl]chromen-2-one

C21H23NO3 — CID 6624775

IUPAC6-methoxy-4-[(N,2,4,6-tetramethylanilino)methyl]chromen-2-one
SMILESCOc1ccc2oc(=O)cc(CN(C)c3c(C)cc(C)cc3C)c2c1
InChIInChI=1S/C21H23NO3/c1-13-8-14(2)21(15(3)9-13)22(4)12-16-10-20(23)25-19-7-6-17(24-5)11-18(16)19/h6-11H,12H2,1-5H3
InChIKeyUMSZCWWXWZGKFW-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.36
Rot. Bonds4

About 6-methoxy-4-[(N,2,4,6-tetramethylanilino)methyl]chromen-2-one

6-methoxy-4-[(N,2,4,6-tetramethylanilino)methyl]chromen-2-one (PubChem CID 6624775) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 6-methoxy-4-[(N,2,4,6-tetramethylanilino)methyl]chromen-2-one.

Molecular Properties

Compound Name6-methoxy-4-[(N,2,4,6-tetramethylanilino)methyl]chromen-2-one
PubChem CID6624775
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name6-methoxy-4-[(N,2,4,6-tetramethylanilino)methyl]chromen-2-one
SMILESCOc1ccc2oc(=O)cc(CN(C)c3c(C)cc(C)cc3C)c2c1
InChIInChI=1S/C21H23NO3/c1-13-8-14(2)21(15(3)9-13)22(4)12-16-10-20(23)25-19-7-6-17(24-5)11-18(16)19/h6-11H,12H2,1-5H3
InChIKeyUMSZCWWXWZGKFW-UHFFFAOYSA-N
XLogP4.36
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-4-[(N,2,5-trimethylanilino)methyl]chromen-2-one
CID 52689134
4-(2-bromoethyl)-6-methoxychromen-2-one
CID 174375390
4-[(N-ethylanilino)methyl]-6-methoxychromen-2-one
CID 23606551
4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-6-methoxychromen-2-one
CID 46269046
6-ethoxy-4-[(4-ethoxy-N-methylanilino)methyl]chromen-2-one
CID 23606545
4-(iodomethyl)-7-methoxychromen-2-one
CID 129188629
6-methoxy-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]chromen-2-one
CID 6485174
7-methoxy-4-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]chromen-2-one
CID 9054180
7-methoxy-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]chromen-2-one
CID 2690617
(6,7-dimethyl-2-oxochromen-4-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7186889
(7-methoxy-2-oxochromen-4-yl)methyl 2,4-dimethylbenzoate
CID 7796060
7-methoxy-4-[[methyl(2-phenylethyl)amino]methyl]chromen-2-one
CID 11151459

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-[(N,2,4,6-tetramethylanilino)methyl]chromen-2-one?
The IUPAC name of 6-methoxy-4-[(N,2,4,6-tetramethylanilino)methyl]chromen-2-one (CID 6624775) is 6-methoxy-4-[(N,2,4,6-tetramethylanilino)methyl]chromen-2-one.
What is the SMILES notation for 6-methoxy-4-[(N,2,4,6-tetramethylanilino)methyl]chromen-2-one?
The canonical SMILES for 6-methoxy-4-[(N,2,4,6-tetramethylanilino)methyl]chromen-2-one is COc1ccc2oc(=O)cc(CN(C)c3c(C)cc(C)cc3C)c2c1.
What is the InChIKey of 6-methoxy-4-[(N,2,4,6-tetramethylanilino)methyl]chromen-2-one?
The InChIKey is UMSZCWWXWZGKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-13-8-14(2)21(15(3)9-13)22(4)12-16-10-20(23)25-19-7-6-17(24-5)11-18(16)19/h6-11H,12H2,1-5H3.
What are the key properties of 6-methoxy-4-[(N,2,4,6-tetramethylanilino)methyl]chromen-2-one?
6-methoxy-4-[(N,2,4,6-tetramethylanilino)methyl]chromen-2-one has a molecular weight of 337.42 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-[(N,2,4,6-tetramethylanilino)methyl]chromen-2-one is sourced from PubChem (CID 6624775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).