2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide

C22H20N2O4 — CID 52905239

IUPAC2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide
SMILESCOc1ccc2c(C)c(CC(=O)Nc3cccc4c3ccn4C)c(=O)oc2c1
InChIInChI=1S/C22H20N2O4/c1-13-15-8-7-14(27-3)11-20(15)28-22(26)17(13)12-21(25)23-18-5-4-6-19-16(18)9-10-24(19)2/h4-11H,12H2,1-3H3,(H,23,25)
InChIKeyQYZGBWYEMCBENZ-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.78
Rot. Bonds4

About 2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide

2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide (PubChem CID 52905239) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide.

Molecular Properties

Compound Name2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide
PubChem CID52905239
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide
SMILESCOc1ccc2c(C)c(CC(=O)Nc3cccc4c3ccn4C)c(=O)oc2c1
InChIInChI=1S/C22H20N2O4/c1-13-15-8-7-14(27-3)11-20(15)28-22(26)17(13)12-21(25)23-18-5-4-6-19-16(18)9-10-24(19)2/h4-11H,12H2,1-3H3,(H,23,25)
InChIKeyQYZGBWYEMCBENZ-UHFFFAOYSA-N
XLogP3.78
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide
CID 52905120
N-(2,4-dimethoxyphenyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 4893034
N-(1H-indol-4-yl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 47093053
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 39040767
2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 75366526
(2R)-2-[[2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]pentanoic acid
CID 907922
N-(2-hydroxy-2-phenylethyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 4838654
N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 52899161
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4914211
N-(2,4-dimethylphenyl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 51272005
N-[(2,4-dimethoxyphenyl)methyl]-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 6236159
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[2-(methoxymethyl)phenyl]methyl]propanamide
CID 32605712

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide?
The IUPAC name of 2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide (CID 52905239) is 2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide.
What is the SMILES notation for 2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide?
The canonical SMILES for 2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide is COc1ccc2c(C)c(CC(=O)Nc3cccc4c3ccn4C)c(=O)oc2c1.
What is the InChIKey of 2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide?
The InChIKey is QYZGBWYEMCBENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-13-15-8-7-14(27-3)11-20(15)28-22(26)17(13)12-21(25)23-18-5-4-6-19-16(18)9-10-24(19)2/h4-11H,12H2,1-3H3,(H,23,25).
What are the key properties of 2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide?
2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide has a molecular weight of 376.41 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide is sourced from PubChem (CID 52905239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).