6-fluoro-N-(3-morpholin-4-ylpropyl)-2-phenylquinoline-4-carboxamide

C23H24FN3O2 — CID 42750139

IUPAC6-fluoro-N-(3-morpholin-4-ylpropyl)-2-phenylquinoline-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc(-c2ccccc2)nc2ccc(F)cc12
InChIInChI=1S/C23H24FN3O2/c24-18-7-8-21-19(15-18)20(16-22(26-21)17-5-2-1-3-6-17)23(28)25-9-4-10-27-11-13-29-14-12-27/h1-3,5-8,15-16H,4,9-14H2,(H,25,28)
InChIKeyVILUAMWGICYZIW-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.49
Rot. Bonds6

About 6-fluoro-N-(3-morpholin-4-ylpropyl)-2-phenylquinoline-4-carboxamide

6-fluoro-N-(3-morpholin-4-ylpropyl)-2-phenylquinoline-4-carboxamide (PubChem CID 42750139) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 6-fluoro-N-(3-morpholin-4-ylpropyl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(3-morpholin-4-ylpropyl)-2-phenylquinoline-4-carboxamide
PubChem CID42750139
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name6-fluoro-N-(3-morpholin-4-ylpropyl)-2-phenylquinoline-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc(-c2ccccc2)nc2ccc(F)cc12
InChIInChI=1S/C23H24FN3O2/c24-18-7-8-21-19(15-18)20(16-22(26-21)17-5-2-1-3-6-17)23(28)25-9-4-10-27-11-13-29-14-12-27/h1-3,5-8,15-16H,4,9-14H2,(H,25,28)
InChIKeyVILUAMWGICYZIW-UHFFFAOYSA-N
XLogP3.49
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-(2-morpholin-4-ylethyl)-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide
CID 162651076
6-methyl-N-(3-morpholin-4-ylpropyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798366
N-butyl-6-fluoro-2-phenylquinoline-4-carboxamide
CID 42750116
2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 42749976
2-(4-acetamidophenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 50816181
6-methyl-N-(3-morpholin-4-ylpropyl)-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 3500045
2-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 2965752
6-methyl-2-(5-methylthiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 3485434
2-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4184624
2-(5-bromothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 22422673
6-bromo-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 2933815
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4110000

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(3-morpholin-4-ylpropyl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of 6-fluoro-N-(3-morpholin-4-ylpropyl)-2-phenylquinoline-4-carboxamide (CID 42750139) is 6-fluoro-N-(3-morpholin-4-ylpropyl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-(3-morpholin-4-ylpropyl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-N-(3-morpholin-4-ylpropyl)-2-phenylquinoline-4-carboxamide is O=C(NCCCN1CCOCC1)c1cc(-c2ccccc2)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-N-(3-morpholin-4-ylpropyl)-2-phenylquinoline-4-carboxamide?
The InChIKey is VILUAMWGICYZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c24-18-7-8-21-19(15-18)20(16-22(26-21)17-5-2-1-3-6-17)23(28)25-9-4-10-27-11-13-29-14-12-27/h1-3,5-8,15-16H,4,9-14H2,(H,25,28).
What are the key properties of 6-fluoro-N-(3-morpholin-4-ylpropyl)-2-phenylquinoline-4-carboxamide?
6-fluoro-N-(3-morpholin-4-ylpropyl)-2-phenylquinoline-4-carboxamide has a molecular weight of 393.46 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(3-morpholin-4-ylpropyl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 42750139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).