6'-fluoro-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione

C19H12FNO3 — CID 170551613

IUPAC6'-fluoro-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione
SMILESCN1C(=O)c2ccccc2C2(C=CC(=O)c3ccc(F)cc32)C1=O
InChIInChI=1S/C19H12FNO3/c1-21-17(23)13-4-2-3-5-14(13)19(18(21)24)9-8-16(22)12-7-6-11(20)10-15(12)19/h2-10H,1H3
InChIKeyDLYZFHUBNMUBKC-UHFFFAOYSA-N
MW321.31 g/mol
LogP2.48
Rot. Bonds

About 6'-fluoro-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione

6'-fluoro-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione (PubChem CID 170551613) has the molecular formula C19H12FNO3 and a molecular weight of 321.31 g/mol. Its IUPAC name is 6'-fluoro-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione.

Molecular Properties

Compound Name6'-fluoro-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione
PubChem CID170551613
Molecular FormulaC19H12FNO3
Molecular Weight321.31 g/mol
Exact Mass321.08
IUPAC Name6'-fluoro-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione
SMILESCN1C(=O)c2ccccc2C2(C=CC(=O)c3ccc(F)cc32)C1=O
InChIInChI=1S/C19H12FNO3/c1-21-17(23)13-4-2-3-5-14(13)19(18(21)24)9-8-16(22)12-7-6-11(20)10-15(12)19/h2-10H,1H3
InChIKeyDLYZFHUBNMUBKC-UHFFFAOYSA-N
XLogP2.48
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6'-fluoro-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione?
The IUPAC name of 6'-fluoro-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione (CID 170551613) is 6'-fluoro-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione.
What is the SMILES notation for 6'-fluoro-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione?
The canonical SMILES for 6'-fluoro-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione is CN1C(=O)c2ccccc2C2(C=CC(=O)c3ccc(F)cc32)C1=O.
What is the InChIKey of 6'-fluoro-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione?
The InChIKey is DLYZFHUBNMUBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FNO3/c1-21-17(23)13-4-2-3-5-14(13)19(18(21)24)9-8-16(22)12-7-6-11(20)10-15(12)19/h2-10H,1H3.
What are the key properties of 6'-fluoro-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione?
6'-fluoro-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione has a molecular weight of 321.31 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-fluoro-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione is sourced from PubChem (CID 170551613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).