7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]-1-(2-phenylethyl)quinolin-2-one

C24H28FN3O2 — CID 118755032

IUPAC7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]-1-(2-phenylethyl)quinolin-2-one
SMILESO=c1c(CNCCN2CCOCC2)cc2ccc(F)cc2n1CCc1ccccc1
InChIInChI=1S/C24H28FN3O2/c25-22-7-6-20-16-21(18-26-9-11-27-12-14-30-15-13-27)24(29)28(23(20)17-22)10-8-19-4-2-1-3-5-19/h1-7,16-17,26H,8-15,18H2
InChIKeyXUJPDEXSLMVNHY-UHFFFAOYSA-N
MW409.51 g/mol
LogP2.81
Rot. Bonds8

About 7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]-1-(2-phenylethyl)quinolin-2-one

7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]-1-(2-phenylethyl)quinolin-2-one (PubChem CID 118755032) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is 7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]-1-(2-phenylethyl)quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]-1-(2-phenylethyl)quinolin-2-one
PubChem CID118755032
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]-1-(2-phenylethyl)quinolin-2-one
SMILESO=c1c(CNCCN2CCOCC2)cc2ccc(F)cc2n1CCc1ccccc1
InChIInChI=1S/C24H28FN3O2/c25-22-7-6-20-16-21(18-26-9-11-27-12-14-30-15-13-27)24(29)28(23(20)17-22)10-8-19-4-2-1-3-5-19/h1-7,16-17,26H,8-15,18H2
InChIKeyXUJPDEXSLMVNHY-UHFFFAOYSA-N
XLogP2.81
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 52.81
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
1-[(3-fluorophenyl)methyl]-6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]quinolin-2-one
CID 31162418
N-[(2,5-difluorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 43312645
7-fluoro-3-[[(1-morpholin-4-ylcyclohexyl)methylamino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 29084542
methane;4-(2-phenylethyl)morpholine
CID 143698819
N-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152143
4-[2-(4-fluorophenyl)ethyl]morpholine
CID 100965302
2-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43220540
N-[(2-fluoro-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine
CID 104791505
N-[(3-fluoro-5-methylphenyl)methyl]-2-morpholin-4-ylethanamine
CID 90054696
N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968793
[1-[7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]quinolin-2-yl]piperidin-3-yl]methanol
CID 118754385

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]-1-(2-phenylethyl)quinolin-2-one?
The IUPAC name of 7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]-1-(2-phenylethyl)quinolin-2-one (CID 118755032) is 7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]-1-(2-phenylethyl)quinolin-2-one.
What is the SMILES notation for 7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]-1-(2-phenylethyl)quinolin-2-one?
The canonical SMILES for 7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]-1-(2-phenylethyl)quinolin-2-one is O=c1c(CNCCN2CCOCC2)cc2ccc(F)cc2n1CCc1ccccc1.
What is the InChIKey of 7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]-1-(2-phenylethyl)quinolin-2-one?
The InChIKey is XUJPDEXSLMVNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c25-22-7-6-20-16-21(18-26-9-11-27-12-14-30-15-13-27)24(29)28(23(20)17-22)10-8-19-4-2-1-3-5-19/h1-7,16-17,26H,8-15,18H2.
What are the key properties of 7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]-1-(2-phenylethyl)quinolin-2-one?
7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]-1-(2-phenylethyl)quinolin-2-one has a molecular weight of 409.51 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]-1-(2-phenylethyl)quinolin-2-one is sourced from PubChem (CID 118755032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).