3-(dimethylamino)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione

C24H19NO4 — CID 164765204

IUPAC3-(dimethylamino)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione
SMILESCc1c2oc3ccccc3c(=O)c2c(C)c2c(=O)c3ccc(N(C)C)cc3oc12
InChIInChI=1S/C24H19NO4/c1-12-19-21(26)15-7-5-6-8-17(15)28-23(19)13(2)24-20(12)22(27)16-10-9-14(25(3)4)11-18(16)29-24/h5-11H,1-4H3
InChIKeyDIGSKFMSRNMDKH-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.89
Rot. Bonds1

About 3-(dimethylamino)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione

3-(dimethylamino)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione (PubChem CID 164765204) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 3-(dimethylamino)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione.

Molecular Properties

Compound Name3-(dimethylamino)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione
PubChem CID164765204
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Name3-(dimethylamino)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione
SMILESCc1c2oc3ccccc3c(=O)c2c(C)c2c(=O)c3ccc(N(C)C)cc3oc12
InChIInChI=1S/C24H19NO4/c1-12-19-21(26)15-7-5-6-8-17(15)28-23(19)13(2)24-20(12)22(27)16-10-9-14(25(3)4)11-18(16)29-24/h5-11H,1-4H3
InChIKeyDIGSKFMSRNMDKH-UHFFFAOYSA-N
XLogP4.89
TPSA63.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(9,9-dimethylacridin-10-yl)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione
CID 164765311
3,4-dihydroxy-1,2-dimethylxanthen-9-one
CID 172645694
3-(dimethylamino)-6-(methylamino)xanthen-9-one
CID 122490895
3-bromo-7-(dimethylamino)-4-methylchromen-2-one
CID 121011345
1-hydroxy-3-methoxy-2,4-dimethylxanthen-9-one
CID 86028059
N-iodo-N-methyldibenzofuran-3-amine
CID 155456331
3-(N-phenylanilino)chromeno[3,2-b]xanthene-12,14-dione
CID 164765343
4-methylpyrano[2,3-a]xanthene-2,12-dione
CID 13270680
4-(dimethylamino)-3-methylchromen-2-one
CID 87273287
1,2-dimethyl-3-phenylxanthen-9-one
CID 10732980
5-[4-(dimethylamino)phenyl]-3-(2-hydroxybenzoyl)benzo[a]xanthen-12-one
CID 56946850
ethyl 4-(dimethylamino)benzoate;xanthen-9-one
CID 67481902

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione?
The IUPAC name of 3-(dimethylamino)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione (CID 164765204) is 3-(dimethylamino)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione.
What is the SMILES notation for 3-(dimethylamino)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione?
The canonical SMILES for 3-(dimethylamino)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione is Cc1c2oc3ccccc3c(=O)c2c(C)c2c(=O)c3ccc(N(C)C)cc3oc12.
What is the InChIKey of 3-(dimethylamino)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione?
The InChIKey is DIGSKFMSRNMDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c1-12-19-21(26)15-7-5-6-8-17(15)28-23(19)13(2)24-20(12)22(27)16-10-9-14(25(3)4)11-18(16)29-24/h5-11H,1-4H3.
What are the key properties of 3-(dimethylamino)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione?
3-(dimethylamino)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione has a molecular weight of 385.42 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione is sourced from PubChem (CID 164765204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).