5-amino-3-ethoxy-6-[(4-methoxyphenyl)methyl]-8-methyl-2-morpholin-4-ylchromen-4-one

C24H28N2O5 — CID 67715791

IUPAC5-amino-3-ethoxy-6-[(4-methoxyphenyl)methyl]-8-methyl-2-morpholin-4-ylchromen-4-one
SMILESCCOc1c(N2CCOCC2)oc2c(C)cc(Cc3ccc(OC)cc3)c(N)c2c1=O
InChIInChI=1S/C24H28N2O5/c1-4-30-23-21(27)19-20(25)17(14-16-5-7-18(28-3)8-6-16)13-15(2)22(19)31-24(23)26-9-11-29-12-10-26/h5-8,13H,4,9-12,14,25H2,1-3H3
InChIKeyZNYBUXNXZQMIRA-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.52
Rot. Bonds6

About 5-amino-3-ethoxy-6-[(4-methoxyphenyl)methyl]-8-methyl-2-morpholin-4-ylchromen-4-one

5-amino-3-ethoxy-6-[(4-methoxyphenyl)methyl]-8-methyl-2-morpholin-4-ylchromen-4-one (PubChem CID 67715791) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is 5-amino-3-ethoxy-6-[(4-methoxyphenyl)methyl]-8-methyl-2-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name5-amino-3-ethoxy-6-[(4-methoxyphenyl)methyl]-8-methyl-2-morpholin-4-ylchromen-4-one
PubChem CID67715791
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name5-amino-3-ethoxy-6-[(4-methoxyphenyl)methyl]-8-methyl-2-morpholin-4-ylchromen-4-one
SMILESCCOc1c(N2CCOCC2)oc2c(C)cc(Cc3ccc(OC)cc3)c(N)c2c1=O
InChIInChI=1S/C24H28N2O5/c1-4-30-23-21(27)19-20(25)17(14-16-5-7-18(28-3)8-6-16)13-15(2)22(19)31-24(23)26-9-11-29-12-10-26/h5-8,13H,4,9-12,14,25H2,1-3H3
InChIKeyZNYBUXNXZQMIRA-UHFFFAOYSA-N
XLogP3.52
TPSA87.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

8-methyl-2-morpholin-4-yl-3-phenylmethoxychromen-4-one
CID 70056265
7-[(4-methoxyphenyl)methoxy]-8-methyl-2-morpholin-4-ylchromen-4-one
CID 15650857
3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-ylbenzene-1,2-diamine
CID 139342854
4-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid
CID 57234201
3-[(4-methoxyphenyl)methoxy]-5-morpholin-4-yl-2-nitroaniline
CID 139331354
4-[(6-methoxynaphthalen-2-yl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde
CID 88589426
6-methoxy-3-morpholin-4-yl-2H-isoquinolin-1-one
CID 22250132
5-[(4-methyl-2-morpholin-4-ylquinolin-7-yl)methyl]pyrimidine-2,4-diamine
CID 14570320
4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-(4-methoxyphenyl)acetamide
CID 22433047
2-(4-methoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544086
2-(4-ethoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 28784276

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-ethoxy-6-[(4-methoxyphenyl)methyl]-8-methyl-2-morpholin-4-ylchromen-4-one?
The IUPAC name of 5-amino-3-ethoxy-6-[(4-methoxyphenyl)methyl]-8-methyl-2-morpholin-4-ylchromen-4-one (CID 67715791) is 5-amino-3-ethoxy-6-[(4-methoxyphenyl)methyl]-8-methyl-2-morpholin-4-ylchromen-4-one.
What is the SMILES notation for 5-amino-3-ethoxy-6-[(4-methoxyphenyl)methyl]-8-methyl-2-morpholin-4-ylchromen-4-one?
The canonical SMILES for 5-amino-3-ethoxy-6-[(4-methoxyphenyl)methyl]-8-methyl-2-morpholin-4-ylchromen-4-one is CCOc1c(N2CCOCC2)oc2c(C)cc(Cc3ccc(OC)cc3)c(N)c2c1=O.
What is the InChIKey of 5-amino-3-ethoxy-6-[(4-methoxyphenyl)methyl]-8-methyl-2-morpholin-4-ylchromen-4-one?
The InChIKey is ZNYBUXNXZQMIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-4-30-23-21(27)19-20(25)17(14-16-5-7-18(28-3)8-6-16)13-15(2)22(19)31-24(23)26-9-11-29-12-10-26/h5-8,13H,4,9-12,14,25H2,1-3H3.
What are the key properties of 5-amino-3-ethoxy-6-[(4-methoxyphenyl)methyl]-8-methyl-2-morpholin-4-ylchromen-4-one?
5-amino-3-ethoxy-6-[(4-methoxyphenyl)methyl]-8-methyl-2-morpholin-4-ylchromen-4-one has a molecular weight of 424.50 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-ethoxy-6-[(4-methoxyphenyl)methyl]-8-methyl-2-morpholin-4-ylchromen-4-one is sourced from PubChem (CID 67715791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).