9-[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]-2-fluoroindeno[1,2-c]quinolin-11-one

C32H34FN3O3 — CID 44603353

IUPAC9-[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]-2-fluoroindeno[1,2-c]quinolin-11-one
SMILESCN(C)CCCOc1ccc(-c2nc3ccc(F)cc3c3c2-c2ccc(OCCCN(C)C)cc2C3=O)cc1
InChIInChI=1S/C32H34FN3O3/c1-35(2)15-5-17-38-23-10-7-21(8-11-23)31-29-25-13-12-24(39-18-6-16-36(3)4)20-26(25)32(37)30(29)27-19-22(33)9-14-28(27)34-31/h7-14,19-20H,5-6,15-18H2,1-4H3
InChIKeyJUGXFGLHYQAENG-UHFFFAOYSA-N
MW527.64 g/mol
LogP5.91
Rot. Bonds11

About 9-[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]-2-fluoroindeno[1,2-c]quinolin-11-one

9-[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]-2-fluoroindeno[1,2-c]quinolin-11-one (PubChem CID 44603353) has the molecular formula C32H34FN3O3 and a molecular weight of 527.64 g/mol. Its IUPAC name is 9-[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]-2-fluoroindeno[1,2-c]quinolin-11-one.

Molecular Properties

Compound Name9-[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]-2-fluoroindeno[1,2-c]quinolin-11-one
PubChem CID44603353
Molecular FormulaC32H34FN3O3
Molecular Weight527.64 g/mol
Exact Mass527.26
IUPAC Name9-[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]-2-fluoroindeno[1,2-c]quinolin-11-one
SMILESCN(C)CCCOc1ccc(-c2nc3ccc(F)cc3c3c2-c2ccc(OCCCN(C)C)cc2C3=O)cc1
InChIInChI=1S/C32H34FN3O3/c1-35(2)15-5-17-38-23-10-7-21(8-11-23)31-29-25-13-12-24(39-18-6-16-36(3)4)20-26(25)32(37)30(29)27-19-22(33)9-14-28(27)34-31/h7-14,19-20H,5-6,15-18H2,1-4H3
InChIKeyJUGXFGLHYQAENG-UHFFFAOYSA-N
XLogP5.91
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.64
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]-2-fluoroindeno[1,2-c]quinolin-11-one?
The IUPAC name of 9-[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]-2-fluoroindeno[1,2-c]quinolin-11-one (CID 44603353) is 9-[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]-2-fluoroindeno[1,2-c]quinolin-11-one.
What is the SMILES notation for 9-[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]-2-fluoroindeno[1,2-c]quinolin-11-one?
The canonical SMILES for 9-[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]-2-fluoroindeno[1,2-c]quinolin-11-one is CN(C)CCCOc1ccc(-c2nc3ccc(F)cc3c3c2-c2ccc(OCCCN(C)C)cc2C3=O)cc1.
What is the InChIKey of 9-[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]-2-fluoroindeno[1,2-c]quinolin-11-one?
The InChIKey is JUGXFGLHYQAENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN3O3/c1-35(2)15-5-17-38-23-10-7-21(8-11-23)31-29-25-13-12-24(39-18-6-16-36(3)4)20-26(25)32(37)30(29)27-19-22(33)9-14-28(27)34-31/h7-14,19-20H,5-6,15-18H2,1-4H3.
What are the key properties of 9-[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]-2-fluoroindeno[1,2-c]quinolin-11-one?
9-[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]-2-fluoroindeno[1,2-c]quinolin-11-one has a molecular weight of 527.64 g/mol, XLogP of 5.91, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]-2-fluoroindeno[1,2-c]quinolin-11-one is sourced from PubChem (CID 44603353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).