10-methoxy-4-(trifluoromethyl)-1H-isochromeno[3,4-f]quinoline-2,6-dione

C18H10F3NO4 — CID 25017766

IUPAC10-methoxy-4-(trifluoromethyl)-1H-isochromeno[3,4-f]quinoline-2,6-dione
SMILESCOc1cccc2c(=O)oc3c(ccc4[nH]c(=O)cc(C(F)(F)F)c43)c12
InChIInChI=1S/C18H10F3NO4/c1-25-12-4-2-3-9-14(12)8-5-6-11-15(16(8)26-17(9)24)10(18(19,20)21)7-13(23)22-11/h2-7H,1H3,(H,22,23)
InChIKeyCQEVMEWKXDDUBJ-UHFFFAOYSA-N
MW361.28 g/mol
LogP3.82
Rot. Bonds1

About 10-methoxy-4-(trifluoromethyl)-1H-isochromeno[3,4-f]quinoline-2,6-dione

10-methoxy-4-(trifluoromethyl)-1H-isochromeno[3,4-f]quinoline-2,6-dione (PubChem CID 25017766) has the molecular formula C18H10F3NO4 and a molecular weight of 361.28 g/mol. Its IUPAC name is 10-methoxy-4-(trifluoromethyl)-1H-isochromeno[3,4-f]quinoline-2,6-dione.

Molecular Properties

Compound Name10-methoxy-4-(trifluoromethyl)-1H-isochromeno[3,4-f]quinoline-2,6-dione
PubChem CID25017766
Molecular FormulaC18H10F3NO4
Molecular Weight361.28 g/mol
Exact Mass361.06
IUPAC Name10-methoxy-4-(trifluoromethyl)-1H-isochromeno[3,4-f]quinoline-2,6-dione
SMILESCOc1cccc2c(=O)oc3c(ccc4[nH]c(=O)cc(C(F)(F)F)c43)c12
InChIInChI=1S/C18H10F3NO4/c1-25-12-4-2-3-9-14(12)8-5-6-11-15(16(8)26-17(9)24)10(18(19,20)21)7-13(23)22-11/h2-7H,1H3,(H,22,23)
InChIKeyCQEVMEWKXDDUBJ-UHFFFAOYSA-N
XLogP3.82
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-methoxy-4-(trifluoromethyl)-1H-isochromeno[3,4-f]quinoline-2,6-dione?
The IUPAC name of 10-methoxy-4-(trifluoromethyl)-1H-isochromeno[3,4-f]quinoline-2,6-dione (CID 25017766) is 10-methoxy-4-(trifluoromethyl)-1H-isochromeno[3,4-f]quinoline-2,6-dione.
What is the SMILES notation for 10-methoxy-4-(trifluoromethyl)-1H-isochromeno[3,4-f]quinoline-2,6-dione?
The canonical SMILES for 10-methoxy-4-(trifluoromethyl)-1H-isochromeno[3,4-f]quinoline-2,6-dione is COc1cccc2c(=O)oc3c(ccc4[nH]c(=O)cc(C(F)(F)F)c43)c12.
What is the InChIKey of 10-methoxy-4-(trifluoromethyl)-1H-isochromeno[3,4-f]quinoline-2,6-dione?
The InChIKey is CQEVMEWKXDDUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3NO4/c1-25-12-4-2-3-9-14(12)8-5-6-11-15(16(8)26-17(9)24)10(18(19,20)21)7-13(23)22-11/h2-7H,1H3,(H,22,23).
What are the key properties of 10-methoxy-4-(trifluoromethyl)-1H-isochromeno[3,4-f]quinoline-2,6-dione?
10-methoxy-4-(trifluoromethyl)-1H-isochromeno[3,4-f]quinoline-2,6-dione has a molecular weight of 361.28 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-4-(trifluoromethyl)-1H-isochromeno[3,4-f]quinoline-2,6-dione is sourced from PubChem (CID 25017766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).