5-[(3-fluorophenyl)methyl]-7-[(2-morpholin-4-ylethylamino)methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one

C24H26FN3O4 — CID 118755903

IUPAC5-[(3-fluorophenyl)methyl]-7-[(2-morpholin-4-ylethylamino)methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESO=c1c(CNCCN2CCOCC2)cc2cc3c(cc2n1Cc1cccc(F)c1)OCO3
InChIInChI=1S/C24H26FN3O4/c25-20-3-1-2-17(10-20)15-28-21-13-23-22(31-16-32-23)12-18(21)11-19(24(28)29)14-26-4-5-27-6-8-30-9-7-27/h1-3,10-13,26H,4-9,14-16H2
InChIKeyPPEWPKSOLUEDFK-UHFFFAOYSA-N
MW439.49 g/mol
LogP2.34
Rot. Bonds7

About 5-[(3-fluorophenyl)methyl]-7-[(2-morpholin-4-ylethylamino)methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one

5-[(3-fluorophenyl)methyl]-7-[(2-morpholin-4-ylethylamino)methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 118755903) has the molecular formula C24H26FN3O4 and a molecular weight of 439.49 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-7-[(2-morpholin-4-ylethylamino)methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-7-[(2-morpholin-4-ylethylamino)methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID118755903
Molecular FormulaC24H26FN3O4
Molecular Weight439.49 g/mol
Exact Mass439.19
IUPAC Name5-[(3-fluorophenyl)methyl]-7-[(2-morpholin-4-ylethylamino)methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESO=c1c(CNCCN2CCOCC2)cc2cc3c(cc2n1Cc1cccc(F)c1)OCO3
InChIInChI=1S/C24H26FN3O4/c25-20-3-1-2-17(10-20)15-28-21-13-23-22(31-16-32-23)12-18(21)11-19(24(28)29)14-26-4-5-27-6-8-30-9-7-27/h1-3,10-13,26H,4-9,14-16H2
InChIKeyPPEWPKSOLUEDFK-UHFFFAOYSA-N
XLogP2.34
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-fluorophenyl)methyl]-6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]quinolin-2-one
CID 31162418
7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]-1-(2-phenylethyl)quinolin-2-one
CID 118755032
N-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152143
N-(1,3-benzodioxol-5-ylmethyl)-2-morpholin-4-ylethanamine
CID 4719981
N-[(2,5-difluorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 43312645
7-[[2-(1H-indol-3-yl)ethylamino]methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 42429572
3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 84551613
N-[(3-fluoro-5-methylphenyl)methyl]-2-morpholin-4-ylethanamine
CID 90054696
3-(1,3-benzodioxol-5-ylmethyl)-2-[(3-fluorophenyl)methylsulfanyl]-6-morpholin-4-ylquinazolin-4-one
CID 3374219
N-(3-fluorophenyl)-2-(2-morpholin-4-ylethylamino)acetamide
CID 28583111
1-[2-(3-fluorophenyl)ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111035440
7-[(1-hydroxypropan-2-ylamino)methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 126465957

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-7-[(2-morpholin-4-ylethylamino)methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-7-[(2-morpholin-4-ylethylamino)methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 118755903) is 5-[(3-fluorophenyl)methyl]-7-[(2-morpholin-4-ylethylamino)methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-7-[(2-morpholin-4-ylethylamino)methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-7-[(2-morpholin-4-ylethylamino)methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one is O=c1c(CNCCN2CCOCC2)cc2cc3c(cc2n1Cc1cccc(F)c1)OCO3.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-7-[(2-morpholin-4-ylethylamino)methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is PPEWPKSOLUEDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O4/c25-20-3-1-2-17(10-20)15-28-21-13-23-22(31-16-32-23)12-18(21)11-19(24(28)29)14-26-4-5-27-6-8-30-9-7-27/h1-3,10-13,26H,4-9,14-16H2.
What are the key properties of 5-[(3-fluorophenyl)methyl]-7-[(2-morpholin-4-ylethylamino)methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one?
5-[(3-fluorophenyl)methyl]-7-[(2-morpholin-4-ylethylamino)methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 439.49 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-7-[(2-morpholin-4-ylethylamino)methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 118755903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).