methoxy-methylidene-[1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]azanium

C24H21N4O3+ — CID 142057078

IUPACmethoxy-methylidene-[1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]azanium
SMILESC=[N+](OC)c1ccc2c(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)cn(C)c2c1
InChIInChI=1S/C24H20N4O3/c1-26-12-17(15-7-5-6-8-19(15)26)21-22(24(30)25-23(21)29)18-13-27(2)20-11-14(28(3)31-4)9-10-16(18)20/h5-13H,3H2,1-2,4H3/p+1
InChIKeyOOLCRGYTMUENLP-UHFFFAOYSA-O
MW413.46 g/mol
LogP3.14
Rot. Bonds4

About methoxy-methylidene-[1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]azanium

methoxy-methylidene-[1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]azanium (PubChem CID 142057078) has the molecular formula C24H21N4O3+ and a molecular weight of 413.46 g/mol. Its IUPAC name is methoxy-methylidene-[1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]azanium.

Molecular Properties

Compound Namemethoxy-methylidene-[1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]azanium
PubChem CID142057078
Molecular FormulaC24H21N4O3+
Molecular Weight413.46 g/mol
Exact Mass413.16
IUPAC Namemethoxy-methylidene-[1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]azanium
SMILESC=[N+](OC)c1ccc2c(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)cn(C)c2c1
InChIInChI=1S/C24H20N4O3/c1-26-12-17(15-7-5-6-8-19(15)26)21-22(24(30)25-23(21)29)18-13-27(2)20-11-14(28(3)31-4)9-10-16(18)20/h5-13H,3H2,1-2,4H3/p+1
InChIKeyOOLCRGYTMUENLP-UHFFFAOYSA-O
XLogP3.14
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxy-methylidene-[1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]azanium?
The IUPAC name of methoxy-methylidene-[1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]azanium (CID 142057078) is methoxy-methylidene-[1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]azanium.
What is the SMILES notation for methoxy-methylidene-[1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]azanium?
The canonical SMILES for methoxy-methylidene-[1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]azanium is C=[N+](OC)c1ccc2c(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)cn(C)c2c1.
What is the InChIKey of methoxy-methylidene-[1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]azanium?
The InChIKey is OOLCRGYTMUENLP-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H20N4O3/c1-26-12-17(15-7-5-6-8-19(15)26)21-22(24(30)25-23(21)29)18-13-27(2)20-11-14(28(3)31-4)9-10-16(18)20/h5-13H,3H2,1-2,4H3/p+1.
What are the key properties of methoxy-methylidene-[1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]azanium?
methoxy-methylidene-[1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]azanium has a molecular weight of 413.46 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-methylidene-[1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]azanium is sourced from PubChem (CID 142057078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).