1-(2-methoxyethyl)-N-(2-oxochromen-6-yl)indole-3-carboxamide

C21H18N2O4 — CID 51125764

IUPAC1-(2-methoxyethyl)-N-(2-oxochromen-6-yl)indole-3-carboxamide
SMILESCOCCn1cc(C(=O)Nc2ccc3oc(=O)ccc3c2)c2ccccc21
InChIInChI=1S/C21H18N2O4/c1-26-11-10-23-13-17(16-4-2-3-5-18(16)23)21(25)22-15-7-8-19-14(12-15)6-9-20(24)27-19/h2-9,12-13H,10-11H2,1H3,(H,22,25)
InChIKeyFSMXXOHQEDOZME-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.65
Rot. Bonds5

About 1-(2-methoxyethyl)-N-(2-oxochromen-6-yl)indole-3-carboxamide

1-(2-methoxyethyl)-N-(2-oxochromen-6-yl)indole-3-carboxamide (PubChem CID 51125764) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-(2-oxochromen-6-yl)indole-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-(2-oxochromen-6-yl)indole-3-carboxamide
PubChem CID51125764
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name1-(2-methoxyethyl)-N-(2-oxochromen-6-yl)indole-3-carboxamide
SMILESCOCCn1cc(C(=O)Nc2ccc3oc(=O)ccc3c2)c2ccccc21
InChIInChI=1S/C21H18N2O4/c1-26-11-10-23-13-17(16-4-2-3-5-18(16)23)21(25)22-15-7-8-19-14(12-15)6-9-20(24)27-19/h2-9,12-13H,10-11H2,1H3,(H,22,25)
InChIKeyFSMXXOHQEDOZME-UHFFFAOYSA-N
XLogP3.65
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.65
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

1-(2-methoxyethyl)-N-pyridin-3-ylindole-3-carboxamide
CID 71701698
2-chloro-N-(2-oxochromen-6-yl)benzamide
CID 965741
1-(2-methoxyethyl)-N-(4-oxo-1H-pyridin-3-yl)indole-3-carboxamide
CID 71883345
2-(2-methoxyethoxy)-N-(2-oxochromen-6-yl)acetamide
CID 60580990
2-(9-oxoacridin-10-yl)-N-(2-oxochromen-6-yl)acetamide
CID 47059966
1-(2-methoxyethyl)-N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]indole-3-carboxamide
CID 146102064
4-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]butanoic acid
CID 119170603
2,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide
CID 6459417
1-(2-methoxyethyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)indole-3-carboxamide
CID 71709068
2-iodo-3-methyl-N-(2-oxochromen-6-yl)benzamide
CID 55978567
1-(1-methoxypropan-2-yl)-3-(2-oxochromen-6-yl)urea
CID 75417545
6-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]hexanoic acid
CID 119219776

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-(2-oxochromen-6-yl)indole-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-(2-oxochromen-6-yl)indole-3-carboxamide (CID 51125764) is 1-(2-methoxyethyl)-N-(2-oxochromen-6-yl)indole-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-(2-oxochromen-6-yl)indole-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-(2-oxochromen-6-yl)indole-3-carboxamide is COCCn1cc(C(=O)Nc2ccc3oc(=O)ccc3c2)c2ccccc21.
What is the InChIKey of 1-(2-methoxyethyl)-N-(2-oxochromen-6-yl)indole-3-carboxamide?
The InChIKey is FSMXXOHQEDOZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-26-11-10-23-13-17(16-4-2-3-5-18(16)23)21(25)22-15-7-8-19-14(12-15)6-9-20(24)27-19/h2-9,12-13H,10-11H2,1H3,(H,22,25).
What are the key properties of 1-(2-methoxyethyl)-N-(2-oxochromen-6-yl)indole-3-carboxamide?
1-(2-methoxyethyl)-N-(2-oxochromen-6-yl)indole-3-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-(2-oxochromen-6-yl)indole-3-carboxamide is sourced from PubChem (CID 51125764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).