2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide

C23H22N2O5 — CID 52905120

IUPAC2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide
SMILESCOc1cc(OC)c2c(C)c(CC(=O)Nc3cccc4c3ccn4C)c(=O)oc2c1
InChIInChI=1S/C23H22N2O5/c1-13-16(23(27)30-20-11-14(28-3)10-19(29-4)22(13)20)12-21(26)24-17-6-5-7-18-15(17)8-9-25(18)2/h5-11H,12H2,1-4H3,(H,24,26)
InChIKeyBLURJRNSDOQCHE-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.79
Rot. Bonds5

About 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide

2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide (PubChem CID 52905120) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide.

Molecular Properties

Compound Name2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide
PubChem CID52905120
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Name2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide
SMILESCOc1cc(OC)c2c(C)c(CC(=O)Nc3cccc4c3ccn4C)c(=O)oc2c1
InChIInChI=1S/C23H22N2O5/c1-13-16(23(27)30-20-11-14(28-3)10-19(29-4)22(13)20)12-21(26)24-17-6-5-7-18-15(17)8-9-25(18)2/h5-11H,12H2,1-4H3,(H,24,26)
InChIKeyBLURJRNSDOQCHE-UHFFFAOYSA-N
XLogP3.79
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide
CID 52905239
N-(3-chlorophenyl)-2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 4970017
2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-pyrrol-1-ylethyl)acetamide
CID 56763626
2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(4-fluorophenyl)acetamide
CID 4971132
2-[[2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-2-phenylacetic acid
CID 4303543
N-(2,4-dimethoxyphenyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 4893034
2-[[2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-methylbutanoic acid
CID 3791578
2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 4837385
2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 4964394
2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 4971234
2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 4914133
2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-(1-methylindol-4-yl)acetamide
CID 71827105

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide?
The IUPAC name of 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide (CID 52905120) is 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide.
What is the SMILES notation for 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide?
The canonical SMILES for 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide is COc1cc(OC)c2c(C)c(CC(=O)Nc3cccc4c3ccn4C)c(=O)oc2c1.
What is the InChIKey of 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide?
The InChIKey is BLURJRNSDOQCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-13-16(23(27)30-20-11-14(28-3)10-19(29-4)22(13)20)12-21(26)24-17-6-5-7-18-15(17)8-9-25(18)2/h5-11H,12H2,1-4H3,(H,24,26).
What are the key properties of 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide?
2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide has a molecular weight of 406.44 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide is sourced from PubChem (CID 52905120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).