8-[1-(3,5-difluoroanilino)ethyl]-N-ethyl-N-methyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide

C25H27F2N3O4 — CID 58235018

IUPAC8-[1-(3,5-difluoroanilino)ethyl]-N-ethyl-N-methyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
SMILESCCN(C)C(=O)c1cc(C(C)Nc2cc(F)cc(F)c2)c2oc(N3CCOCC3)cc(=O)c2c1
InChIInChI=1S/C25H27F2N3O4/c1-4-29(3)25(32)16-9-20(15(2)28-19-12-17(26)11-18(27)13-19)24-21(10-16)22(31)14-23(34-24)30-5-7-33-8-6-30/h9-15,28H,4-8H2,1-3H3
InChIKeyCOYPNKZCINCUIP-UHFFFAOYSA-N
MW471.50 g/mol
LogP4.17
Rot. Bonds6

About 8-[1-(3,5-difluoroanilino)ethyl]-N-ethyl-N-methyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide

8-[1-(3,5-difluoroanilino)ethyl]-N-ethyl-N-methyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide (PubChem CID 58235018) has the molecular formula C25H27F2N3O4 and a molecular weight of 471.50 g/mol. Its IUPAC name is 8-[1-(3,5-difluoroanilino)ethyl]-N-ethyl-N-methyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide.

Molecular Properties

Compound Name8-[1-(3,5-difluoroanilino)ethyl]-N-ethyl-N-methyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
PubChem CID58235018
Molecular FormulaC25H27F2N3O4
Molecular Weight471.50 g/mol
Exact Mass471.20
IUPAC Name8-[1-(3,5-difluoroanilino)ethyl]-N-ethyl-N-methyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
SMILESCCN(C)C(=O)c1cc(C(C)Nc2cc(F)cc(F)c2)c2oc(N3CCOCC3)cc(=O)c2c1
InChIInChI=1S/C25H27F2N3O4/c1-4-29(3)25(32)16-9-20(15(2)28-19-12-17(26)11-18(27)13-19)24-21(10-16)22(31)14-23(34-24)30-5-7-33-8-6-30/h9-15,28H,4-8H2,1-3H3
InChIKeyCOYPNKZCINCUIP-UHFFFAOYSA-N
XLogP4.17
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(3,5-difluoroanilino)ethyl]-N-ethyl-N-methyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The IUPAC name of 8-[1-(3,5-difluoroanilino)ethyl]-N-ethyl-N-methyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide (CID 58235018) is 8-[1-(3,5-difluoroanilino)ethyl]-N-ethyl-N-methyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide.
What is the SMILES notation for 8-[1-(3,5-difluoroanilino)ethyl]-N-ethyl-N-methyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The canonical SMILES for 8-[1-(3,5-difluoroanilino)ethyl]-N-ethyl-N-methyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide is CCN(C)C(=O)c1cc(C(C)Nc2cc(F)cc(F)c2)c2oc(N3CCOCC3)cc(=O)c2c1.
What is the InChIKey of 8-[1-(3,5-difluoroanilino)ethyl]-N-ethyl-N-methyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The InChIKey is COYPNKZCINCUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N3O4/c1-4-29(3)25(32)16-9-20(15(2)28-19-12-17(26)11-18(27)13-19)24-21(10-16)22(31)14-23(34-24)30-5-7-33-8-6-30/h9-15,28H,4-8H2,1-3H3.
What are the key properties of 8-[1-(3,5-difluoroanilino)ethyl]-N-ethyl-N-methyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
8-[1-(3,5-difluoroanilino)ethyl]-N-ethyl-N-methyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide has a molecular weight of 471.50 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(3,5-difluoroanilino)ethyl]-N-ethyl-N-methyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide is sourced from PubChem (CID 58235018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).