3-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-2-phenylchromene-8-carboxamide

C27H24N2O4 — CID 2456791

IUPAC3-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-2-phenylchromene-8-carboxamide
SMILESCc1c(-c2ccccc2)oc2c(C(=O)Nc3ccc(N4CCOCC4)cc3)cccc2c1=O
InChIInChI=1S/C27H24N2O4/c1-18-24(30)22-8-5-9-23(26(22)33-25(18)19-6-3-2-4-7-19)27(31)28-20-10-12-21(13-11-20)29-14-16-32-17-15-29/h2-13H,14-17H2,1H3,(H,28,31)
InChIKeyUBUUHOPYULGIRA-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.86
Rot. Bonds4

About 3-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-2-phenylchromene-8-carboxamide

3-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-2-phenylchromene-8-carboxamide (PubChem CID 2456791) has the molecular formula C27H24N2O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is 3-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-2-phenylchromene-8-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-2-phenylchromene-8-carboxamide
PubChem CID2456791
Molecular FormulaC27H24N2O4
Molecular Weight440.50 g/mol
Exact Mass440.17
IUPAC Name3-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-2-phenylchromene-8-carboxamide
SMILESCc1c(-c2ccccc2)oc2c(C(=O)Nc3ccc(N4CCOCC4)cc3)cccc2c1=O
InChIInChI=1S/C27H24N2O4/c1-18-24(30)22-8-5-9-23(26(22)33-25(18)19-6-3-2-4-7-19)27(31)28-20-10-12-21(13-11-20)29-14-16-32-17-15-29/h2-13H,14-17H2,1H3,(H,28,31)
InChIKeyUBUUHOPYULGIRA-UHFFFAOYSA-N
XLogP4.86
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-2-phenylchromene-8-carboxamide?
The IUPAC name of 3-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-2-phenylchromene-8-carboxamide (CID 2456791) is 3-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-2-phenylchromene-8-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-2-phenylchromene-8-carboxamide?
The canonical SMILES for 3-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-2-phenylchromene-8-carboxamide is Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccc(N4CCOCC4)cc3)cccc2c1=O.
What is the InChIKey of 3-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-2-phenylchromene-8-carboxamide?
The InChIKey is UBUUHOPYULGIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O4/c1-18-24(30)22-8-5-9-23(26(22)33-25(18)19-6-3-2-4-7-19)27(31)28-20-10-12-21(13-11-20)29-14-16-32-17-15-29/h2-13H,14-17H2,1H3,(H,28,31).
What are the key properties of 3-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-2-phenylchromene-8-carboxamide?
3-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-2-phenylchromene-8-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-2-phenylchromene-8-carboxamide is sourced from PubChem (CID 2456791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).