8-ethyl-7-methoxy-2-oxo-N-(4-pyrrolidin-2-ylphenyl)chromene-3-carboxamide

C23H24N2O4 — CID 24994979

IUPAC8-ethyl-7-methoxy-2-oxo-N-(4-pyrrolidin-2-ylphenyl)chromene-3-carboxamide
SMILESCCc1c(OC)ccc2cc(C(=O)Nc3ccc(C4CCCN4)cc3)c(=O)oc12
InChIInChI=1S/C23H24N2O4/c1-3-17-20(28-2)11-8-15-13-18(23(27)29-21(15)17)22(26)25-16-9-6-14(7-10-16)19-5-4-12-24-19/h6-11,13,19,24H,3-5,12H2,1-2H3,(H,25,26)
InChIKeyGDZMSNZBEZUVDK-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.04
Rot. Bonds5

About 8-ethyl-7-methoxy-2-oxo-N-(4-pyrrolidin-2-ylphenyl)chromene-3-carboxamide

8-ethyl-7-methoxy-2-oxo-N-(4-pyrrolidin-2-ylphenyl)chromene-3-carboxamide (PubChem CID 24994979) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 8-ethyl-7-methoxy-2-oxo-N-(4-pyrrolidin-2-ylphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name8-ethyl-7-methoxy-2-oxo-N-(4-pyrrolidin-2-ylphenyl)chromene-3-carboxamide
PubChem CID24994979
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name8-ethyl-7-methoxy-2-oxo-N-(4-pyrrolidin-2-ylphenyl)chromene-3-carboxamide
SMILESCCc1c(OC)ccc2cc(C(=O)Nc3ccc(C4CCCN4)cc3)c(=O)oc12
InChIInChI=1S/C23H24N2O4/c1-3-17-20(28-2)11-8-15-13-18(23(27)29-21(15)17)22(26)25-16-9-6-14(7-10-16)19-5-4-12-24-19/h6-11,13,19,24H,3-5,12H2,1-2H3,(H,25,26)
InChIKeyGDZMSNZBEZUVDK-UHFFFAOYSA-N
XLogP4.04
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-7-methoxy-2-oxo-N-(4-pyrrolidin-2-ylphenyl)chromene-3-carboxamide?
The IUPAC name of 8-ethyl-7-methoxy-2-oxo-N-(4-pyrrolidin-2-ylphenyl)chromene-3-carboxamide (CID 24994979) is 8-ethyl-7-methoxy-2-oxo-N-(4-pyrrolidin-2-ylphenyl)chromene-3-carboxamide.
What is the SMILES notation for 8-ethyl-7-methoxy-2-oxo-N-(4-pyrrolidin-2-ylphenyl)chromene-3-carboxamide?
The canonical SMILES for 8-ethyl-7-methoxy-2-oxo-N-(4-pyrrolidin-2-ylphenyl)chromene-3-carboxamide is CCc1c(OC)ccc2cc(C(=O)Nc3ccc(C4CCCN4)cc3)c(=O)oc12.
What is the InChIKey of 8-ethyl-7-methoxy-2-oxo-N-(4-pyrrolidin-2-ylphenyl)chromene-3-carboxamide?
The InChIKey is GDZMSNZBEZUVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-3-17-20(28-2)11-8-15-13-18(23(27)29-21(15)17)22(26)25-16-9-6-14(7-10-16)19-5-4-12-24-19/h6-11,13,19,24H,3-5,12H2,1-2H3,(H,25,26).
What are the key properties of 8-ethyl-7-methoxy-2-oxo-N-(4-pyrrolidin-2-ylphenyl)chromene-3-carboxamide?
8-ethyl-7-methoxy-2-oxo-N-(4-pyrrolidin-2-ylphenyl)chromene-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-7-methoxy-2-oxo-N-(4-pyrrolidin-2-ylphenyl)chromene-3-carboxamide is sourced from PubChem (CID 24994979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).