4-amino-8-methoxy-2,3-dihydro-1H-cyclopenta[a]xanthen-11-one

C17H15NO3 — CID 102314275

IUPAC4-amino-8-methoxy-2,3-dihydro-1H-cyclopenta[a]xanthen-11-one
SMILESCOc1ccc2c(=O)c3c4c(c(N)cc3oc2c1)CCC4
InChIInChI=1S/C17H15NO3/c1-20-9-5-6-12-14(7-9)21-15-8-13(18)10-3-2-4-11(10)16(15)17(12)19/h5-8H,2-4,18H2,1H3
InChIKeyVZCYQKRMCPSTGU-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.03
Rot. Bonds1

About 4-amino-8-methoxy-2,3-dihydro-1H-cyclopenta[a]xanthen-11-one

4-amino-8-methoxy-2,3-dihydro-1H-cyclopenta[a]xanthen-11-one (PubChem CID 102314275) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-amino-8-methoxy-2,3-dihydro-1H-cyclopenta[a]xanthen-11-one.

Molecular Properties

Compound Name4-amino-8-methoxy-2,3-dihydro-1H-cyclopenta[a]xanthen-11-one
PubChem CID102314275
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name4-amino-8-methoxy-2,3-dihydro-1H-cyclopenta[a]xanthen-11-one
SMILESCOc1ccc2c(=O)c3c4c(c(N)cc3oc2c1)CCC4
InChIInChI=1S/C17H15NO3/c1-20-9-5-6-12-14(7-9)21-15-8-13(18)10-3-2-4-11(10)16(15)17(12)19/h5-8H,2-4,18H2,1H3
InChIKeyVZCYQKRMCPSTGU-UHFFFAOYSA-N
XLogP3.03
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-7-methoxy-2-phenylchromen-4-one
CID 101481005
2-amino-3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
CID 70689704
2-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-6-methoxy-1-benzofuran-3-amine
CID 71555609
18-methoxy-5,7,14-trioxapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,11,15(20),16,18-octaen-21-one
CID 135196704
2-methoxy-9-(trifluoromethyl)benzo[a]xanthen-12-one
CID 135196737
3-methoxy-9-(trifluoromethyl)benzo[b]xanthen-12-one
CID 135178959
2-ethyl-7-methoxychromen-4-one
CID 10013150
1-hydroxy-7-methoxy-3-propan-2-yloxyxanthen-9-one
CID 6221914
1-fluoro-3-methoxyxanthen-9-one
CID 155932992
2,16-dimethoxy-11-methyl-19-oxatetracyclo[10.7.0.03,8.013,18]nonadeca-1,3(8),4,6,11,13(18),14,16-octaen-7-amine
CID 163592306
N-(1-hydroxypropan-2-yl)-6-methoxy-9-oxoxanthene-2-carboxamide
CID 139246796
8-methoxynaphtho[1,2-c]chromen-5-one
CID 118617567

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-methoxy-2,3-dihydro-1H-cyclopenta[a]xanthen-11-one?
The IUPAC name of 4-amino-8-methoxy-2,3-dihydro-1H-cyclopenta[a]xanthen-11-one (CID 102314275) is 4-amino-8-methoxy-2,3-dihydro-1H-cyclopenta[a]xanthen-11-one.
What is the SMILES notation for 4-amino-8-methoxy-2,3-dihydro-1H-cyclopenta[a]xanthen-11-one?
The canonical SMILES for 4-amino-8-methoxy-2,3-dihydro-1H-cyclopenta[a]xanthen-11-one is COc1ccc2c(=O)c3c4c(c(N)cc3oc2c1)CCC4.
What is the InChIKey of 4-amino-8-methoxy-2,3-dihydro-1H-cyclopenta[a]xanthen-11-one?
The InChIKey is VZCYQKRMCPSTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-20-9-5-6-12-14(7-9)21-15-8-13(18)10-3-2-4-11(10)16(15)17(12)19/h5-8H,2-4,18H2,1H3.
What are the key properties of 4-amino-8-methoxy-2,3-dihydro-1H-cyclopenta[a]xanthen-11-one?
4-amino-8-methoxy-2,3-dihydro-1H-cyclopenta[a]xanthen-11-one has a molecular weight of 281.31 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-methoxy-2,3-dihydro-1H-cyclopenta[a]xanthen-11-one is sourced from PubChem (CID 102314275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).