2,3-dimethyl-6-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one

C22H26N2O2 — CID 24747858

IUPAC2,3-dimethyl-6-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one
SMILESCc1cc2oc3cc(NCCC4CCCN4C)ccc3c(=O)c2cc1C
InChIInChI=1S/C22H26N2O2/c1-14-11-19-20(12-15(14)2)26-21-13-16(6-7-18(21)22(19)25)23-9-8-17-5-4-10-24(17)3/h6-7,11-13,17,23H,4-5,8-10H2,1-3H3
InChIKeySIDMMKXHVPHVOG-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.46
Rot. Bonds4

About 2,3-dimethyl-6-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one

2,3-dimethyl-6-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one (PubChem CID 24747858) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2,3-dimethyl-6-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one.

Molecular Properties

Compound Name2,3-dimethyl-6-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one
PubChem CID24747858
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name2,3-dimethyl-6-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one
SMILESCc1cc2oc3cc(NCCC4CCCN4C)ccc3c(=O)c2cc1C
InChIInChI=1S/C22H26N2O2/c1-14-11-19-20(12-15(14)2)26-21-13-16(6-7-18(21)22(19)25)23-9-8-17-5-4-10-24(17)3/h6-7,11-13,17,23H,4-5,8-10H2,1-3H3
InChIKeySIDMMKXHVPHVOG-UHFFFAOYSA-N
XLogP4.46
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.46
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

Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdatesilicate
CID 3086031
Biphenyl-4-carboxylic acid [4-(3-dimethylamino-propylcarbamoyl)-3-methoxy-phenyl]-amide
CID 44394921
2-(4-Pyrrolidin-1-ylphenyl)benzo[h]chromen-4-one
CID 56945190
2-[4-(Dimethylamino)phenyl]-3-hydroxy-6,7-dimethylchromen-4-one
CID 56945192
3-Hydroxy-6,7-dimethyl-2-(4-pyrrolidin-1-ylphenyl)chromen-4-one
CID 56945294
5-Fluoro-3-pyrrolidin-1-ylxanthen-9-one
CID 132168021
Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 3',6'-bis(ethylamino)-2',7'-dimethyl-
CID 170500
3-(3-Morpholin-4-ylpropylamino)xanthen-9-one
CID 24792642
3-[2-(1-Methylpyrrolidin-2-yl)ethylamino]xanthen-9-one
CID 24792643
3-(Ethylamino)-5-fluoroxanthen-9-one
CID 168276029
6,7-Dimethyl-2-(4-pyrrolidin-1-ylphenyl)chromen-4-one
CID 56945191
2-[4-(Dimethylamino)phenyl]-6,7-dimethylchromen-4-one
CID 56945193

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one?
The IUPAC name of 2,3-dimethyl-6-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one (CID 24747858) is 2,3-dimethyl-6-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one.
What is the SMILES notation for 2,3-dimethyl-6-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one?
The canonical SMILES for 2,3-dimethyl-6-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one is Cc1cc2oc3cc(NCCC4CCCN4C)ccc3c(=O)c2cc1C.
What is the InChIKey of 2,3-dimethyl-6-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one?
The InChIKey is SIDMMKXHVPHVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-14-11-19-20(12-15(14)2)26-21-13-16(6-7-18(21)22(19)25)23-9-8-17-5-4-10-24(17)3/h6-7,11-13,17,23H,4-5,8-10H2,1-3H3.
What are the key properties of 2,3-dimethyl-6-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one?
2,3-dimethyl-6-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one has a molecular weight of 350.46 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthen-9-one is sourced from PubChem (CID 24747858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).