7-hydroxy-6-methoxy-2-methyl-3-[4-(4-morpholin-4-ylbutanoyl)phenyl]-4-oxochromene-8-carbaldehyde

C26H27NO7 — CID 157245927

IUPAC7-hydroxy-6-methoxy-2-methyl-3-[4-(4-morpholin-4-ylbutanoyl)phenyl]-4-oxochromene-8-carbaldehyde
SMILESCOc1cc2c(=O)c(-c3ccc(C(=O)CCCN4CCOCC4)cc3)c(C)oc2c(C=O)c1O
InChIInChI=1S/C26H27NO7/c1-16-23(25(31)19-14-22(32-2)24(30)20(15-28)26(19)34-16)18-7-5-17(6-8-18)21(29)4-3-9-27-10-12-33-13-11-27/h5-8,14-15,30H,3-4,9-13H2,1-2H3
InChIKeyAVTNEJJAZVZKNH-UHFFFAOYSA-N
MW465.50 g/mol
LogP3.59
Rot. Bonds8

About 7-hydroxy-6-methoxy-2-methyl-3-[4-(4-morpholin-4-ylbutanoyl)phenyl]-4-oxochromene-8-carbaldehyde

7-hydroxy-6-methoxy-2-methyl-3-[4-(4-morpholin-4-ylbutanoyl)phenyl]-4-oxochromene-8-carbaldehyde (PubChem CID 157245927) has the molecular formula C26H27NO7 and a molecular weight of 465.50 g/mol. Its IUPAC name is 7-hydroxy-6-methoxy-2-methyl-3-[4-(4-morpholin-4-ylbutanoyl)phenyl]-4-oxochromene-8-carbaldehyde.

Molecular Properties

Compound Name7-hydroxy-6-methoxy-2-methyl-3-[4-(4-morpholin-4-ylbutanoyl)phenyl]-4-oxochromene-8-carbaldehyde
PubChem CID157245927
Molecular FormulaC26H27NO7
Molecular Weight465.50 g/mol
Exact Mass465.18
IUPAC Name7-hydroxy-6-methoxy-2-methyl-3-[4-(4-morpholin-4-ylbutanoyl)phenyl]-4-oxochromene-8-carbaldehyde
SMILESCOc1cc2c(=O)c(-c3ccc(C(=O)CCCN4CCOCC4)cc3)c(C)oc2c(C=O)c1O
InChIInChI=1S/C26H27NO7/c1-16-23(25(31)19-14-22(32-2)24(30)20(15-28)26(19)34-16)18-7-5-17(6-8-18)21(29)4-3-9-27-10-12-33-13-11-27/h5-8,14-15,30H,3-4,9-13H2,1-2H3
InChIKeyAVTNEJJAZVZKNH-UHFFFAOYSA-N
XLogP3.59
TPSA106.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.50
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]chromen-4-one
CID 134691615
3-(8-formyl-7-hydroxy-6-methoxy-2-methyl-4-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)propanamide;3-(8-formyl-7-hydroxy-2-methyl-4-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)propanamide;7-hydroxy-2,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxochromene-8-carbaldehyde;7-hydroxy-6-methoxy-2-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-4-oxochromene-8-carbaldehyde;7-hydroxy-2-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-4-oxochromene-8-carbaldehyde
CID 165074007
2-hydroxy-5-[3-(4-morpholin-4-ylbutanoyl)phenyl]benzaldehyde
CID 89218582
4-methoxy-N-[3,4,5-trimethoxy-2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide
CID 147839137
5-hydroxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbaldehyde
CID 4769907
methyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzoate
CID 22466648
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-morpholin-4-ylbutan-1-one
CID 70778526
4-methoxy-3-(4-morpholin-4-ylbutylsulfonyl)benzoic acid
CID 159004403
1-(4-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one
CID 11825129
N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-4-methoxybenzamide
CID 146931849
1-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxy-3-methoxyphenyl]-5-morpholin-4-ylpentan-1-one
CID 58456873
2-(8-formyl-7-hydroxy-2,6-dimethyl-4-oxochromen-3-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 158654682

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-methoxy-2-methyl-3-[4-(4-morpholin-4-ylbutanoyl)phenyl]-4-oxochromene-8-carbaldehyde?
The IUPAC name of 7-hydroxy-6-methoxy-2-methyl-3-[4-(4-morpholin-4-ylbutanoyl)phenyl]-4-oxochromene-8-carbaldehyde (CID 157245927) is 7-hydroxy-6-methoxy-2-methyl-3-[4-(4-morpholin-4-ylbutanoyl)phenyl]-4-oxochromene-8-carbaldehyde.
What is the SMILES notation for 7-hydroxy-6-methoxy-2-methyl-3-[4-(4-morpholin-4-ylbutanoyl)phenyl]-4-oxochromene-8-carbaldehyde?
The canonical SMILES for 7-hydroxy-6-methoxy-2-methyl-3-[4-(4-morpholin-4-ylbutanoyl)phenyl]-4-oxochromene-8-carbaldehyde is COc1cc2c(=O)c(-c3ccc(C(=O)CCCN4CCOCC4)cc3)c(C)oc2c(C=O)c1O.
What is the InChIKey of 7-hydroxy-6-methoxy-2-methyl-3-[4-(4-morpholin-4-ylbutanoyl)phenyl]-4-oxochromene-8-carbaldehyde?
The InChIKey is AVTNEJJAZVZKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO7/c1-16-23(25(31)19-14-22(32-2)24(30)20(15-28)26(19)34-16)18-7-5-17(6-8-18)21(29)4-3-9-27-10-12-33-13-11-27/h5-8,14-15,30H,3-4,9-13H2,1-2H3.
What are the key properties of 7-hydroxy-6-methoxy-2-methyl-3-[4-(4-morpholin-4-ylbutanoyl)phenyl]-4-oxochromene-8-carbaldehyde?
7-hydroxy-6-methoxy-2-methyl-3-[4-(4-morpholin-4-ylbutanoyl)phenyl]-4-oxochromene-8-carbaldehyde has a molecular weight of 465.50 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-methoxy-2-methyl-3-[4-(4-morpholin-4-ylbutanoyl)phenyl]-4-oxochromene-8-carbaldehyde is sourced from PubChem (CID 157245927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).