3-(dimethylamino)-6-(methylamino)xanthen-9-one

C16H16N2O2 — CID 122490895

IUPAC3-(dimethylamino)-6-(methylamino)xanthen-9-one
SMILESCNc1ccc2c(=O)c3ccc(N(C)C)cc3oc2c1
InChIInChI=1S/C16H16N2O2/c1-17-10-4-6-12-14(8-10)20-15-9-11(18(2)3)5-7-13(15)16(12)19/h4-9,17H,1-3H3
InChIKeyZUBKJWVZJQBSJY-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.05
Rot. Bonds2

About 3-(dimethylamino)-6-(methylamino)xanthen-9-one

3-(dimethylamino)-6-(methylamino)xanthen-9-one (PubChem CID 122490895) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-(dimethylamino)-6-(methylamino)xanthen-9-one.

Molecular Properties

Compound Name3-(dimethylamino)-6-(methylamino)xanthen-9-one
PubChem CID122490895
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-(dimethylamino)-6-(methylamino)xanthen-9-one
SMILESCNc1ccc2c(=O)c3ccc(N(C)C)cc3oc2c1
InChIInChI=1S/C16H16N2O2/c1-17-10-4-6-12-14(8-10)20-15-9-11(18(2)3)5-7-13(15)16(12)19/h4-9,17H,1-3H3
InChIKeyZUBKJWVZJQBSJY-UHFFFAOYSA-N
XLogP3.05
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,6-bis(methylamino)xanthen-9-one
CID 54135100
3-(dimethylamino)-8-(oxan-4-yloxy)benzo[c]chromen-6-one;3-(methylamino)-8-(oxan-4-yloxy)benzo[c]chromen-6-one
CID 164598391
3-(dimethylamino)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione
CID 164765204
4-hydroxy-7-(methylamino)chromen-2-one
CID 54690209
3-bromo-7-(dimethylamino)-4-methylchromen-2-one
CID 121011345
7-(dimethylamino)-2-oxochromene-4-carboxylic acid
CID 46190449
2-[7-(dimethylamino)-2-oxochromen-4-yl]acetic acid
CID 2762622
7-(dimethylamino)-4-(prop-2-ynylamino)chromen-2-one
CID 87407567
7-(dimethylamino)-4-pyridin-4-ylchromen-2-one
CID 166063810
7-(dimethylamino)-4-(2-methylpropyl)chromen-2-one
CID 88684463
5,11-bis(dimethylamino)-16-oxo-8,15-dioxatetracyclo[15.4.0.02,7.09,14]henicosa-1(17),2(7),3,5,9(14),10,12,18,20-nonaene-19-carbaldehyde
CID 138706292
potassium 2-[7-(dimethylamino)-2-oxochromen-4-yl]ethylazanide
CID 155716771

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-6-(methylamino)xanthen-9-one?
The IUPAC name of 3-(dimethylamino)-6-(methylamino)xanthen-9-one (CID 122490895) is 3-(dimethylamino)-6-(methylamino)xanthen-9-one.
What is the SMILES notation for 3-(dimethylamino)-6-(methylamino)xanthen-9-one?
The canonical SMILES for 3-(dimethylamino)-6-(methylamino)xanthen-9-one is CNc1ccc2c(=O)c3ccc(N(C)C)cc3oc2c1.
What is the InChIKey of 3-(dimethylamino)-6-(methylamino)xanthen-9-one?
The InChIKey is ZUBKJWVZJQBSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-17-10-4-6-12-14(8-10)20-15-9-11(18(2)3)5-7-13(15)16(12)19/h4-9,17H,1-3H3.
What are the key properties of 3-(dimethylamino)-6-(methylamino)xanthen-9-one?
3-(dimethylamino)-6-(methylamino)xanthen-9-one has a molecular weight of 268.32 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-6-(methylamino)xanthen-9-one is sourced from PubChem (CID 122490895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).