2-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one

C20H22N2O2 — CID 24792641

IUPAC2-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one
SMILESCN1CCCC1CCNc1ccc2oc3ccccc3c(=O)c2c1
InChIInChI=1S/C20H22N2O2/c1-22-12-4-5-15(22)10-11-21-14-8-9-19-17(13-14)20(23)16-6-2-3-7-18(16)24-19/h2-3,6-9,13,15,21H,4-5,10-12H2,1H3
InChIKeyHWMYZAFWKLKYER-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.84
Rot. Bonds4

About 2-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one

2-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one (PubChem CID 24792641) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one.

Molecular Properties

Compound Name2-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one
PubChem CID24792641
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one
SMILESCN1CCCC1CCNc1ccc2oc3ccccc3c(=O)c2c1
InChIInChI=1S/C20H22N2O2/c1-22-12-4-5-15(22)10-11-21-14-8-9-19-17(13-14)20(23)16-6-2-3-7-18(16)24-19/h2-3,6-9,13,15,21H,4-5,10-12H2,1H3
InChIKeyHWMYZAFWKLKYER-UHFFFAOYSA-N
XLogP3.84
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.84
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

2,7-diamino-9H-xanthen-9-one
CID 2770072
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CID 8898031
2-(2-Methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)xanthen-9-one
CID 11461365
(S)-2-phenoxy-N-phenyl-N-(pyrrolidin-3-yl)benzamide
CID 11610150
Biphenyl-4-carboxylic acid [3-acetyl-4-(2-diethylamino-ethoxy)-phenyl]-amide
CID 44416479
N-[2-(3-methoxyphenyl)-4-oxo-chromen-6-yl]acetamide
CID 49864135
N-[4-oxo-2-[4-(trifluoromethyl)phenyl]chromen-6-yl]acetamide
CID 49864147
4(1H)-Quinolinone,3-dihydro-2-(3-methoxyphenyl)-6-(1-pyrrolidinyl)-
CID 395562
N-(3-acetylphenyl)-2-(4-ethoxyanilino)-2-phenylacetamide
CID 4881004
6-Amino-4'-(dimethylamino)flavone
CID 10755200
1'-[1-(4-Methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-4-one
CID 16802861

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one?
The IUPAC name of 2-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one (CID 24792641) is 2-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one.
What is the SMILES notation for 2-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one?
The canonical SMILES for 2-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one is CN1CCCC1CCNc1ccc2oc3ccccc3c(=O)c2c1.
What is the InChIKey of 2-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one?
The InChIKey is HWMYZAFWKLKYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-22-12-4-5-15(22)10-11-21-14-8-9-19-17(13-14)20(23)16-6-2-3-7-18(16)24-19/h2-3,6-9,13,15,21H,4-5,10-12H2,1H3.
What are the key properties of 2-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one?
2-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one has a molecular weight of 322.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one is sourced from PubChem (CID 24792641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).