4-[2-(dimethylamino)ethoxy]-2-methyl-6-pyridin-3-yloxyxanthen-9-one

C23H22N2O4 — CID 139462391

IUPAC4-[2-(dimethylamino)ethoxy]-2-methyl-6-pyridin-3-yloxyxanthen-9-one
SMILESCc1cc(OCCN(C)C)c2oc3cc(Oc4cccnc4)ccc3c(=O)c2c1
InChIInChI=1S/C23H22N2O4/c1-15-11-19-22(26)18-7-6-16(28-17-5-4-8-24-14-17)13-20(18)29-23(19)21(12-15)27-10-9-25(2)3/h4-8,11-14H,9-10H2,1-3H3
InChIKeyJVHRIEPTXXUJKJ-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.38
Rot. Bonds6

About 4-[2-(dimethylamino)ethoxy]-2-methyl-6-pyridin-3-yloxyxanthen-9-one

4-[2-(dimethylamino)ethoxy]-2-methyl-6-pyridin-3-yloxyxanthen-9-one (PubChem CID 139462391) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]-2-methyl-6-pyridin-3-yloxyxanthen-9-one.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]-2-methyl-6-pyridin-3-yloxyxanthen-9-one
PubChem CID139462391
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name4-[2-(dimethylamino)ethoxy]-2-methyl-6-pyridin-3-yloxyxanthen-9-one
SMILESCc1cc(OCCN(C)C)c2oc3cc(Oc4cccnc4)ccc3c(=O)c2c1
InChIInChI=1S/C23H22N2O4/c1-15-11-19-22(26)18-7-6-16(28-17-5-4-8-24-14-17)13-20(18)29-23(19)21(12-15)27-10-9-25(2)3/h4-8,11-14H,9-10H2,1-3H3
InChIKeyJVHRIEPTXXUJKJ-UHFFFAOYSA-N
XLogP4.38
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(dimethylamino)ethoxy]-6-[[6-[2-[4-(hydroxymethyl)phenyl]ethyl]-3-pyridinyl]oxy]-2-methylxanthen-9-one;6-[2-[4-(hydroxymethyl)phenyl]ethyl]pyridin-3-ol
CID 161253114
4-(4-bromobutoxy)-2-methyl-6-phenoxyxanthen-9-one
CID 139462426
4-[2-(dimethylamino)ethoxy]-2-methyl-6-[3-(2-phenylacetyl)phenoxy]xanthen-9-one;1-(3-hydroxyphenyl)-2-phenylethanone
CID 161171640
4-[2-(dimethylamino)ethoxy]-2-methyl-6-[[6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-pyridinyl]oxy]xanthen-9-one
CID 139462487
3-[5-[3-(dimethylamino)propoxy]-7-methyl-9-oxoxanthen-3-yl]oxy-N-phenylbenzamide
CID 139462429
[2-(cyclopentylamino)-2-oxoethyl] N-[5-[5-[2-(dimethylamino)ethoxy]-7-methyl-9-oxoxanthen-3-yl]oxy-2-pyridinyl]carbamate
CID 139462460
4-methoxy-2-methyl-6-phenoxyxanthen-9-one
CID 139462389
4-[2-(dimethylamino)ethoxy]-6-[6-[(4-methoxyphenyl)methoxy]pyridine-3-carbonyl]-2-methylxanthen-9-one
CID 139462518
cyclopentanamine;N-cyclopentyl-3-[5-[5-[2-(dimethylamino)ethoxy]-7-methyl-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propanamide;3-[5-[5-[2-(dimethylamino)ethoxy]-7-methyl-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propyl formate;3-(5-hydroxy-2-pyridinyl)propyl formate;methane
CID 160796076
4-(2-aminoethoxy)-2-methyl-6-[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-3-pyridinyl]oxy]xanthen-9-one
CID 152816360
2-chloro-4-[2-(dimethylamino)ethoxy]-6-fluoroxanthen-9-one
CID 139462484
2,6-bis[2-(dimethylamino)ethoxy]xanthen-9-one
CID 57439560

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethoxy]-2-methyl-6-pyridin-3-yloxyxanthen-9-one?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]-2-methyl-6-pyridin-3-yloxyxanthen-9-one (CID 139462391) is 4-[2-(dimethylamino)ethoxy]-2-methyl-6-pyridin-3-yloxyxanthen-9-one.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]-2-methyl-6-pyridin-3-yloxyxanthen-9-one?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]-2-methyl-6-pyridin-3-yloxyxanthen-9-one is Cc1cc(OCCN(C)C)c2oc3cc(Oc4cccnc4)ccc3c(=O)c2c1.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]-2-methyl-6-pyridin-3-yloxyxanthen-9-one?
The InChIKey is JVHRIEPTXXUJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-15-11-19-22(26)18-7-6-16(28-17-5-4-8-24-14-17)13-20(18)29-23(19)21(12-15)27-10-9-25(2)3/h4-8,11-14H,9-10H2,1-3H3.
What are the key properties of 4-[2-(dimethylamino)ethoxy]-2-methyl-6-pyridin-3-yloxyxanthen-9-one?
4-[2-(dimethylamino)ethoxy]-2-methyl-6-pyridin-3-yloxyxanthen-9-one has a molecular weight of 390.44 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethoxy]-2-methyl-6-pyridin-3-yloxyxanthen-9-one is sourced from PubChem (CID 139462391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).