4-(8-formyl-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)benzamide

C24H24N2O6 — CID 54575078

IUPAC4-(8-formyl-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1c(-c2ccc(C(=O)NCCN3CCOCC3)cc2)c(=O)oc2c(C=O)c(O)ccc12
InChIInChI=1S/C24H24N2O6/c1-15-18-6-7-20(28)19(14-27)22(18)32-24(30)21(15)16-2-4-17(5-3-16)23(29)25-8-9-26-10-12-31-13-11-26/h2-7,14,28H,8-13H2,1H3,(H,25,29)
InChIKeyNQUKAQJMGQBCMS-UHFFFAOYSA-N
MW436.46 g/mol
LogP2.35
Rot. Bonds6

About 4-(8-formyl-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)benzamide

4-(8-formyl-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 54575078) has the molecular formula C24H24N2O6 and a molecular weight of 436.46 g/mol. Its IUPAC name is 4-(8-formyl-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-(8-formyl-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID54575078
Molecular FormulaC24H24N2O6
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC Name4-(8-formyl-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1c(-c2ccc(C(=O)NCCN3CCOCC3)cc2)c(=O)oc2c(C=O)c(O)ccc12
InChIInChI=1S/C24H24N2O6/c1-15-18-6-7-20(28)19(14-27)22(18)32-24(30)21(15)16-2-4-17(5-3-16)23(29)25-8-9-26-10-12-31-13-11-26/h2-7,14,28H,8-13H2,1H3,(H,25,29)
InChIKeyNQUKAQJMGQBCMS-UHFFFAOYSA-N
XLogP2.35
TPSA109.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(8-formyl-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-(8-formyl-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)benzamide (CID 54575078) is 4-(8-formyl-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-(8-formyl-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-(8-formyl-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)benzamide is Cc1c(-c2ccc(C(=O)NCCN3CCOCC3)cc2)c(=O)oc2c(C=O)c(O)ccc12.
What is the InChIKey of 4-(8-formyl-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is NQUKAQJMGQBCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6/c1-15-18-6-7-20(28)19(14-27)22(18)32-24(30)21(15)16-2-4-17(5-3-16)23(29)25-8-9-26-10-12-31-13-11-26/h2-7,14,28H,8-13H2,1H3,(H,25,29).
What are the key properties of 4-(8-formyl-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)benzamide?
4-(8-formyl-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 436.46 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-formyl-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 54575078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).