N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]quinoline-6-carboxamide

C22H22FN3O2 — CID 4249333

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]quinoline-6-carboxamide
SMILESO=C(NCC(c1ccc(F)cc1)N1CCOCC1)c1ccc2ncccc2c1
InChIInChI=1S/C22H22FN3O2/c23-19-6-3-16(4-7-19)21(26-10-12-28-13-11-26)15-25-22(27)18-5-8-20-17(14-18)2-1-9-24-20/h1-9,14,21H,10-13,15H2,(H,25,27)
InChIKeyPSYQOYVVKUNWDW-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.18
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]quinoline-6-carboxamide

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]quinoline-6-carboxamide (PubChem CID 4249333) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]quinoline-6-carboxamide
PubChem CID4249333
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]quinoline-6-carboxamide
SMILESO=C(NCC(c1ccc(F)cc1)N1CCOCC1)c1ccc2ncccc2c1
InChIInChI=1S/C22H22FN3O2/c23-19-6-3-16(4-7-19)21(26-10-12-28-13-11-26)15-25-22(27)18-5-8-20-17(14-18)2-1-9-24-20/h1-9,14,21H,10-13,15H2,(H,25,27)
InChIKeyPSYQOYVVKUNWDW-UHFFFAOYSA-N
XLogP3.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]pyridine-3-carboxamide
CID 2313697
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide
CID 30834711
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide
CID 18589031
N-(2-morpholin-4-yl-2-phenylethyl)-3H-benzimidazole-5-carboxamide
CID 42948401
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2H-benzotriazole-5-carboxamide
CID 30530459
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 39969594
N-(2-morpholin-4-yl-2-phenylethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 46578774
4-fluoro-N-[(2R)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]benzamide
CID 30834879
2-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)pyridine-3-carboxamide
CID 91197833
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethoxy)benzamide
CID 43003559
N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2H-benzotriazole-5-carboxamide
CID 77091232

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]quinoline-6-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]quinoline-6-carboxamide (CID 4249333) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]quinoline-6-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]quinoline-6-carboxamide is O=C(NCC(c1ccc(F)cc1)N1CCOCC1)c1ccc2ncccc2c1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]quinoline-6-carboxamide?
The InChIKey is PSYQOYVVKUNWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c23-19-6-3-16(4-7-19)21(26-10-12-28-13-11-26)15-25-22(27)18-5-8-20-17(14-18)2-1-9-24-20/h1-9,14,21H,10-13,15H2,(H,25,27).
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]quinoline-6-carboxamide?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]quinoline-6-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]quinoline-6-carboxamide is sourced from PubChem (CID 4249333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).