3-methyl-4-oxo-2-phenyl-N-(2-pyrrol-1-ylethyl)chromene-8-carboxamide

C23H20N2O3 — CID 125433000

IUPAC3-methyl-4-oxo-2-phenyl-N-(2-pyrrol-1-ylethyl)chromene-8-carboxamide
SMILESCc1c(-c2ccccc2)oc2c(C(=O)NCCn3cccc3)cccc2c1=O
InChIInChI=1S/C23H20N2O3/c1-16-20(26)18-10-7-11-19(23(27)24-12-15-25-13-5-6-14-25)22(18)28-21(16)17-8-3-2-4-9-17/h2-11,13-14H,12,15H2,1H3,(H,24,27)
InChIKeyFIRMULYAXXJDGF-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.00
Rot. Bonds5

About 3-methyl-4-oxo-2-phenyl-N-(2-pyrrol-1-ylethyl)chromene-8-carboxamide

3-methyl-4-oxo-2-phenyl-N-(2-pyrrol-1-ylethyl)chromene-8-carboxamide (PubChem CID 125433000) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 3-methyl-4-oxo-2-phenyl-N-(2-pyrrol-1-ylethyl)chromene-8-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-2-phenyl-N-(2-pyrrol-1-ylethyl)chromene-8-carboxamide
PubChem CID125433000
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name3-methyl-4-oxo-2-phenyl-N-(2-pyrrol-1-ylethyl)chromene-8-carboxamide
SMILESCc1c(-c2ccccc2)oc2c(C(=O)NCCn3cccc3)cccc2c1=O
InChIInChI=1S/C23H20N2O3/c1-16-20(26)18-10-7-11-19(23(27)24-12-15-25-13-5-6-14-25)22(18)28-21(16)17-8-3-2-4-9-17/h2-11,13-14H,12,15H2,1H3,(H,24,27)
InChIKeyFIRMULYAXXJDGF-UHFFFAOYSA-N
XLogP4.00
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-2-phenyl-N-(2-pyrrol-1-ylethyl)chromene-8-carboxamide?
The IUPAC name of 3-methyl-4-oxo-2-phenyl-N-(2-pyrrol-1-ylethyl)chromene-8-carboxamide (CID 125433000) is 3-methyl-4-oxo-2-phenyl-N-(2-pyrrol-1-ylethyl)chromene-8-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-2-phenyl-N-(2-pyrrol-1-ylethyl)chromene-8-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-2-phenyl-N-(2-pyrrol-1-ylethyl)chromene-8-carboxamide is Cc1c(-c2ccccc2)oc2c(C(=O)NCCn3cccc3)cccc2c1=O.
What is the InChIKey of 3-methyl-4-oxo-2-phenyl-N-(2-pyrrol-1-ylethyl)chromene-8-carboxamide?
The InChIKey is FIRMULYAXXJDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-16-20(26)18-10-7-11-19(23(27)24-12-15-25-13-5-6-14-25)22(18)28-21(16)17-8-3-2-4-9-17/h2-11,13-14H,12,15H2,1H3,(H,24,27).
What are the key properties of 3-methyl-4-oxo-2-phenyl-N-(2-pyrrol-1-ylethyl)chromene-8-carboxamide?
3-methyl-4-oxo-2-phenyl-N-(2-pyrrol-1-ylethyl)chromene-8-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-2-phenyl-N-(2-pyrrol-1-ylethyl)chromene-8-carboxamide is sourced from PubChem (CID 125433000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).