3-fluoro-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide

C23H28FN3O2 — CID 16812668

IUPAC3-fluoro-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide
SMILESCN1CCCc2cc(C(CNC(=O)c3cccc(F)c3)N3CCOCC3)ccc21
InChIInChI=1S/C23H28FN3O2/c1-26-9-3-5-17-14-18(7-8-21(17)26)22(27-10-12-29-13-11-27)16-25-23(28)19-4-2-6-20(24)15-19/h2,4,6-8,14-15,22H,3,5,9-13,16H2,1H3,(H,25,28)
InChIKeyRDPMCBIZPBAJCN-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.01
Rot. Bonds5

About 3-fluoro-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide

3-fluoro-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 16812668) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is 3-fluoro-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide
PubChem CID16812668
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name3-fluoro-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide
SMILESCN1CCCc2cc(C(CNC(=O)c3cccc(F)c3)N3CCOCC3)ccc21
InChIInChI=1S/C23H28FN3O2/c1-26-9-3-5-17-14-18(7-8-21(17)26)22(27-10-12-29-13-11-27)16-25-23(28)19-4-2-6-20(24)15-19/h2,4,6-8,14-15,22H,3,5,9-13,16H2,1H3,(H,25,28)
InChIKeyRDPMCBIZPBAJCN-UHFFFAOYSA-N
XLogP3.01
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 3-fluoro-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide
CID 27369763
3-bromo-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575570
3-bromo-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 16812658
3-chloro-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]benzamide
CID 40948864
4-tert-butyl-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575720
4-tert-butyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575716
N'-(2,5-difluorophenyl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]oxamide
CID 18571875
4-methyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575734
5-bromo-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]furan-2-carboxamide
CID 20934532
5-bromo-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]furan-2-carboxamide
CID 27369839
N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)benzamide
CID 30575483
N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide
CID 30575673

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide (CID 16812668) is 3-fluoro-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide is CN1CCCc2cc(C(CNC(=O)c3cccc(F)c3)N3CCOCC3)ccc21.
What is the InChIKey of 3-fluoro-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide?
The InChIKey is RDPMCBIZPBAJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-26-9-3-5-17-14-18(7-8-21(17)26)22(27-10-12-29-13-11-27)16-25-23(28)19-4-2-6-20(24)15-19/h2,4,6-8,14-15,22H,3,5,9-13,16H2,1H3,(H,25,28).
What are the key properties of 3-fluoro-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide?
3-fluoro-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide has a molecular weight of 397.49 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 16812668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).