3-(1H-indol-5-yl)xanthen-9-one

C21H13NO2 — CID 24747942

IUPAC3-(1H-indol-5-yl)xanthen-9-one
SMILESO=c1c2ccccc2oc2cc(-c3ccc4[nH]ccc4c3)ccc12
InChIInChI=1S/C21H13NO2/c23-21-16-3-1-2-4-19(16)24-20-12-14(5-7-17(20)21)13-6-8-18-15(11-13)9-10-22-18/h1-12,22H
InChIKeyKHDPUEGXJWQTFK-UHFFFAOYSA-N
MW311.34 g/mol
LogP5.09
Rot. Bonds1

About 3-(1H-indol-5-yl)xanthen-9-one

3-(1H-indol-5-yl)xanthen-9-one (PubChem CID 24747942) has the molecular formula C21H13NO2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-(1H-indol-5-yl)xanthen-9-one.

Molecular Properties

Compound Name3-(1H-indol-5-yl)xanthen-9-one
PubChem CID24747942
Molecular FormulaC21H13NO2
Molecular Weight311.34 g/mol
Exact Mass311.09
IUPAC Name3-(1H-indol-5-yl)xanthen-9-one
SMILESO=c1c2ccccc2oc2cc(-c3ccc4[nH]ccc4c3)ccc12
InChIInChI=1S/C21H13NO2/c23-21-16-3-1-2-4-19(16)24-20-12-14(5-7-17(20)21)13-6-8-18-15(11-13)9-10-22-18/h1-12,22H
InChIKeyKHDPUEGXJWQTFK-UHFFFAOYSA-N
XLogP5.09
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.34
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(4-Chroman-6-yl-piperazin-1-yl)-butyl]-1H-indole-5-carboxylic acid amide
CID 10410574
3-{[3-(5-Fluoro-1H-indol-3-yl)propyl](propyl)amino}chromane-5-carboxamide
CID 44589076
2-(1H-indol-6-yl)-6,7,10-trimethoxybenzo[h]chromen-4-one
CID 141533898
8-(1H-indol-5-yl)-2-morpholin-4-ylchromen-4-one
CID 11501108
(E)-3-(5-methoxy-1H-indol-3-yl)-1-phenylprop-2-en-1-one
CID 5917598
N'-((1H-Indol-3-yl)methylene)-2-methoxybenzohydrazide
CID 135603782
N-(2-(5-Methoxy-1H-indol-3-yl)ethyl)biphenyl-4-carboxamide
CID 7354608
N-(1-((1H-indol-6-yl)methyl)piperidin-4-yl)-7-fluoro-4-oxo-4H-chromene-2-carboxamide
CID 11495432
N-(1-((1H-indol-5-yl)methyl)piperidin-4-yl)-7-fluoro-4-oxo-4H-chromene-2-carboxamide
CID 11589812
(3R)-8-fluoro-3-{[3-(5-fluoro-1H-indol-3-yl)propyl]amino}chromane-5-carboxamide
CID 11846181
2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propan-2-yl]-2-methylpropanamide
CID 22862448
1-{2-[4-(5-Methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-ethyl}-isochroman-6-carboxylic acid amide
CID 44461306

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-5-yl)xanthen-9-one?
The IUPAC name of 3-(1H-indol-5-yl)xanthen-9-one (CID 24747942) is 3-(1H-indol-5-yl)xanthen-9-one.
What is the SMILES notation for 3-(1H-indol-5-yl)xanthen-9-one?
The canonical SMILES for 3-(1H-indol-5-yl)xanthen-9-one is O=c1c2ccccc2oc2cc(-c3ccc4[nH]ccc4c3)ccc12.
What is the InChIKey of 3-(1H-indol-5-yl)xanthen-9-one?
The InChIKey is KHDPUEGXJWQTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NO2/c23-21-16-3-1-2-4-19(16)24-20-12-14(5-7-17(20)21)13-6-8-18-15(11-13)9-10-22-18/h1-12,22H.
What are the key properties of 3-(1H-indol-5-yl)xanthen-9-one?
3-(1H-indol-5-yl)xanthen-9-one has a molecular weight of 311.34 g/mol, XLogP of 5.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-5-yl)xanthen-9-one is sourced from PubChem (CID 24747942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).