[7-(2-carboxyphenyl)-10-morpholin-4-yl-6-oxochromeno[3,2-c]chromen-3-ylidene]-dimethylazanium

C29H25N2O6+ — CID 123586541

IUPAC[7-(2-carboxyphenyl)-10-morpholin-4-yl-6-oxochromeno[3,2-c]chromen-3-ylidene]-dimethylazanium
SMILESC[N+](C)=c1ccc2c(c1)oc(=O)c1c(-c3ccccc3C(=O)O)c3ccc(N4CCOCC4)cc3oc12
InChIInChI=1S/C29H24N2O6/c1-30(2)17-7-10-22-24(15-17)37-29(34)26-25(19-5-3-4-6-20(19)28(32)33)21-9-8-18(16-23(21)36-27(22)26)31-11-13-35-14-12-31/h3-10,15-16H,11-14H2,1-2H3/p+1
InChIKeyVIQSITRDIYNWGN-UHFFFAOYSA-O
MW497.53 g/mol
LogP3.93
Rot. Bonds3

About [7-(2-carboxyphenyl)-10-morpholin-4-yl-6-oxochromeno[3,2-c]chromen-3-ylidene]-dimethylazanium

[7-(2-carboxyphenyl)-10-morpholin-4-yl-6-oxochromeno[3,2-c]chromen-3-ylidene]-dimethylazanium (PubChem CID 123586541) has the molecular formula C29H25N2O6+ and a molecular weight of 497.53 g/mol. Its IUPAC name is [7-(2-carboxyphenyl)-10-morpholin-4-yl-6-oxochromeno[3,2-c]chromen-3-ylidene]-dimethylazanium.

Molecular Properties

Compound Name[7-(2-carboxyphenyl)-10-morpholin-4-yl-6-oxochromeno[3,2-c]chromen-3-ylidene]-dimethylazanium
PubChem CID123586541
Molecular FormulaC29H25N2O6+
Molecular Weight497.53 g/mol
Exact Mass497.17
IUPAC Name[7-(2-carboxyphenyl)-10-morpholin-4-yl-6-oxochromeno[3,2-c]chromen-3-ylidene]-dimethylazanium
SMILESC[N+](C)=c1ccc2c(c1)oc(=O)c1c(-c3ccccc3C(=O)O)c3ccc(N4CCOCC4)cc3oc12
InChIInChI=1S/C29H24N2O6/c1-30(2)17-7-10-22-24(15-17)37-29(34)26-25(19-5-3-4-6-20(19)28(32)33)21-9-8-18(16-23(21)36-27(22)26)31-11-13-35-14-12-31/h3-10,15-16H,11-14H2,1-2H3/p+1
InChIKeyVIQSITRDIYNWGN-UHFFFAOYSA-O
XLogP3.93
TPSA96.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.53
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [7-(2-carboxyphenyl)-10-morpholin-4-yl-6-oxochromeno[3,2-c]chromen-3-ylidene]-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-7-morpholin-4-yl-2-oxochromene-3-carboxylic acid
CID 58939664
[7-(2-carboxyphenyl)-10-(diethylamino)-2-ethyl-6-oxochromeno[4,3-b]chromen-3-ylidene]-ethyl-methylazanium
CID 123403488
7-morpholin-4-yl-2-oxochromene-3-carboxylic acid
CID 3469110
[10-(diethylamino)-7-(2-ethoxycarbonylphenyl)-6-oxochromeno[3,2-c]chromen-3-ylidene]-diethylazanium perchlorate
CID 71734545
[9-(2-carboxyphenyl)-6-[ethyl(methyl)amino]xanthen-3-ylidene]-dimethylazanium
CID 168793597
2-(4-morpholin-4-ylbenzoyl)benzoic acid
CID 20536938
2-[3-(azetidin-1-ium-1-ylidene)-6-(azetidin-1-yl)xanthen-9-yl]benzoic acid;carbon dioxide
CID 159243525
[9-[2-carboxy-4-methoxy-5-[13-(2-methoxyphenyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium
CID 172541116
[9-(2-carboxyphenyl)-6-(dimethylamino)selenoxanthen-3-ylidene]-dimethylazanium
CID 11496779
2-[2-[[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]carbamoyl]phenyl]benzoic acid
CID 24984100
[9-(2-carboxyphenyl)-6-[(3,3-dihydroxy-2-methylpropyl)amino]xanthen-3-ylidene]-dimethylazanium
CID 54134167
[6-(4-arsono-N-methylanilino)-9-(2-carboxyphenyl)xanthen-3-ylidene]-(4-arsonophenyl)-methylazanium
CID 59467539

Frequently Asked Questions

What is the IUPAC name of [7-(2-carboxyphenyl)-10-morpholin-4-yl-6-oxochromeno[3,2-c]chromen-3-ylidene]-dimethylazanium?
The IUPAC name of [7-(2-carboxyphenyl)-10-morpholin-4-yl-6-oxochromeno[3,2-c]chromen-3-ylidene]-dimethylazanium (CID 123586541) is [7-(2-carboxyphenyl)-10-morpholin-4-yl-6-oxochromeno[3,2-c]chromen-3-ylidene]-dimethylazanium.
What is the SMILES notation for [7-(2-carboxyphenyl)-10-morpholin-4-yl-6-oxochromeno[3,2-c]chromen-3-ylidene]-dimethylazanium?
The canonical SMILES for [7-(2-carboxyphenyl)-10-morpholin-4-yl-6-oxochromeno[3,2-c]chromen-3-ylidene]-dimethylazanium is C[N+](C)=c1ccc2c(c1)oc(=O)c1c(-c3ccccc3C(=O)O)c3ccc(N4CCOCC4)cc3oc12.
What is the InChIKey of [7-(2-carboxyphenyl)-10-morpholin-4-yl-6-oxochromeno[3,2-c]chromen-3-ylidene]-dimethylazanium?
The InChIKey is VIQSITRDIYNWGN-UHFFFAOYSA-O. The full InChI is InChI=1S/C29H24N2O6/c1-30(2)17-7-10-22-24(15-17)37-29(34)26-25(19-5-3-4-6-20(19)28(32)33)21-9-8-18(16-23(21)36-27(22)26)31-11-13-35-14-12-31/h3-10,15-16H,11-14H2,1-2H3/p+1.
What are the key properties of [7-(2-carboxyphenyl)-10-morpholin-4-yl-6-oxochromeno[3,2-c]chromen-3-ylidene]-dimethylazanium?
[7-(2-carboxyphenyl)-10-morpholin-4-yl-6-oxochromeno[3,2-c]chromen-3-ylidene]-dimethylazanium has a molecular weight of 497.53 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2-carboxyphenyl)-10-morpholin-4-yl-6-oxochromeno[3,2-c]chromen-3-ylidene]-dimethylazanium is sourced from PubChem (CID 123586541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).