(10R)-10-(4-fluorophenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione

C22H16FNO2 — CID 7360230

IUPAC(10R)-10-(4-fluorophenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
SMILESO=C1C2=C(N=C3CCCC(=O)C3[C@@H]2c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C22H16FNO2/c23-13-10-8-12(9-11-13)18-19-16(6-3-7-17(19)25)24-21-14-4-1-2-5-15(14)22(26)20(18)21/h1-2,4-5,8-11,18-19H,3,6-7H2/t18-,19?/m0/s1
InChIKeyRKBBWINDRKEHEF-OYKVQYDMSA-N
MW345.37 g/mol
LogP4.34
Rot. Bonds1

About (10R)-10-(4-fluorophenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione

(10R)-10-(4-fluorophenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione (PubChem CID 7360230) has the molecular formula C22H16FNO2 and a molecular weight of 345.37 g/mol. Its IUPAC name is (10R)-10-(4-fluorophenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione.

Molecular Properties

Compound Name(10R)-10-(4-fluorophenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
PubChem CID7360230
Molecular FormulaC22H16FNO2
Molecular Weight345.37 g/mol
Exact Mass345.12
IUPAC Name(10R)-10-(4-fluorophenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
SMILESO=C1C2=C(N=C3CCCC(=O)C3[C@@H]2c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C22H16FNO2/c23-13-10-8-12(9-11-13)18-19-16(6-3-7-17(19)25)24-21-14-4-1-2-5-15(14)22(26)20(18)21/h1-2,4-5,8-11,18-19H,3,6-7H2/t18-,19?/m0/s1
InChIKeyRKBBWINDRKEHEF-OYKVQYDMSA-N
XLogP4.34
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (10R)-10-(4-fluorophenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10R)-10-(4-fluorophenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The IUPAC name of (10R)-10-(4-fluorophenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione (CID 7360230) is (10R)-10-(4-fluorophenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione.
What is the SMILES notation for (10R)-10-(4-fluorophenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The canonical SMILES for (10R)-10-(4-fluorophenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione is O=C1C2=C(N=C3CCCC(=O)C3[C@@H]2c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of (10R)-10-(4-fluorophenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The InChIKey is RKBBWINDRKEHEF-OYKVQYDMSA-N. The full InChI is InChI=1S/C22H16FNO2/c23-13-10-8-12(9-11-13)18-19-16(6-3-7-17(19)25)24-21-14-4-1-2-5-15(14)22(26)20(18)21/h1-2,4-5,8-11,18-19H,3,6-7H2/t18-,19?/m0/s1.
What are the key properties of (10R)-10-(4-fluorophenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
(10R)-10-(4-fluorophenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione has a molecular weight of 345.37 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-10-(4-fluorophenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione is sourced from PubChem (CID 7360230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).