1-[(3-fluorophenyl)methyl]-6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]quinolin-2-one

C25H30FN3O2 — CID 31162418

IUPAC1-[(3-fluorophenyl)methyl]-6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]quinolin-2-one
SMILESCc1ccc2c(c1)cc(CNCCCN1CCOCC1)c(=O)n2Cc1cccc(F)c1
InChIInChI=1S/C25H30FN3O2/c1-19-6-7-24-21(14-19)16-22(17-27-8-3-9-28-10-12-31-13-11-28)25(30)29(24)18-20-4-2-5-23(26)15-20/h2,4-7,14-16,27H,3,8-13,17-18H2,1H3
InChIKeyNKSDCYXKHZBSMR-UHFFFAOYSA-N
MW423.53 g/mol
LogP3.31
Rot. Bonds8

About 1-[(3-fluorophenyl)methyl]-6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]quinolin-2-one

1-[(3-fluorophenyl)methyl]-6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]quinolin-2-one (PubChem CID 31162418) has the molecular formula C25H30FN3O2 and a molecular weight of 423.53 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]quinolin-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]quinolin-2-one
PubChem CID31162418
Molecular FormulaC25H30FN3O2
Molecular Weight423.53 g/mol
Exact Mass423.23
IUPAC Name1-[(3-fluorophenyl)methyl]-6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]quinolin-2-one
SMILESCc1ccc2c(c1)cc(CNCCCN1CCOCC1)c(=O)n2Cc1cccc(F)c1
InChIInChI=1S/C25H30FN3O2/c1-19-6-7-24-21(14-19)16-22(17-27-8-3-9-28-10-12-31-13-11-28)25(30)29(24)18-20-4-2-5-23(26)15-20/h2,4-7,14-16,27H,3,8-13,17-18H2,1H3
InChIKeyNKSDCYXKHZBSMR-UHFFFAOYSA-N
XLogP3.31
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-fluorophenyl)methyl]-7-[(2-morpholin-4-ylethylamino)methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 118755903
N-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152143
7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]-1-(2-phenylethyl)quinolin-2-one
CID 118755032
6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one
CID 3169163
5-[(3-fluorophenyl)methyl]-7-[(3-imidazol-1-ylpropylamino)methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 26340216
N-[(3-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid
CID 17053091
N-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657741
5,8-dimethyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one
CID 3169166
N-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6456981
N-[(3-fluoro-5-methylphenyl)methyl]-2-morpholin-4-ylethanamine
CID 90054696
N-[(3-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679808
N-[(3-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2991571

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]quinolin-2-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]quinolin-2-one (CID 31162418) is 1-[(3-fluorophenyl)methyl]-6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]quinolin-2-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]quinolin-2-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]quinolin-2-one is Cc1ccc2c(c1)cc(CNCCCN1CCOCC1)c(=O)n2Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]quinolin-2-one?
The InChIKey is NKSDCYXKHZBSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O2/c1-19-6-7-24-21(14-19)16-22(17-27-8-3-9-28-10-12-31-13-11-28)25(30)29(24)18-20-4-2-5-23(26)15-20/h2,4-7,14-16,27H,3,8-13,17-18H2,1H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]quinolin-2-one?
1-[(3-fluorophenyl)methyl]-6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]quinolin-2-one has a molecular weight of 423.53 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]quinolin-2-one is sourced from PubChem (CID 31162418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).