N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-1H-quinoline-4-carboxamide

C22H22FN3O3 — CID 42886342

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(NCC(c1ccc(F)cc1)N1CCOCC1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C22H22FN3O3/c23-16-7-5-15(6-8-16)20(26-9-11-29-12-10-26)14-24-22(28)18-13-21(27)25-19-4-2-1-3-17(18)19/h1-8,13,20H,9-12,14H2,(H,24,28)(H,25,27)
InChIKeyHCKVUDPYIMRWEO-UHFFFAOYSA-N
MW395.43 g/mol
LogP2.47
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-1H-quinoline-4-carboxamide

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 42886342) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID42886342
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(NCC(c1ccc(F)cc1)N1CCOCC1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C22H22FN3O3/c23-16-7-5-15(6-8-16)20(26-9-11-29-12-10-26)14-24-22(28)18-13-21(27)25-19-4-2-1-3-17(18)19/h1-8,13,20H,9-12,14H2,(H,24,28)(H,25,27)
InChIKeyHCKVUDPYIMRWEO-UHFFFAOYSA-N
XLogP2.47
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-2-morpholin-4-ylpentyl)-2-oxo-1H-quinoline-4-carboxamide
CID 134027047
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfanylbenzamide
CID 2460009
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylindole-3-carboxamide
CID 29223882
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 4807578
5-chloro-2-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 17460307
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide
CID 30878247
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1H-indole-3-carboxamide
CID 31909519
2-(4-chlorobenzoyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 2314369
N-[(2R)-2-hydroxy-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 28934807
2-(4-fluorophenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 30834749
2-chloro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]pyridine-3-carboxamide
CID 2313697
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1H-indazole-3-carboxamide
CID 60593064

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-1H-quinoline-4-carboxamide (CID 42886342) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-1H-quinoline-4-carboxamide is O=C(NCC(c1ccc(F)cc1)N1CCOCC1)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is HCKVUDPYIMRWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c23-16-7-5-15(6-8-16)20(26-9-11-29-12-10-26)14-24-22(28)18-13-21(27)25-19-4-2-1-3-17(18)19/h1-8,13,20H,9-12,14H2,(H,24,28)(H,25,27).
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 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]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 42886342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).