2-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide

C24H21FN4O2S — CID 92638333

IUPAC2-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nccs1)c1cc([C@@H]2CN(Cc3ccc(F)cc3)CCO2)nc2ccccc12
InChIInChI=1S/C24H21FN4O2S/c25-17-7-5-16(6-8-17)14-29-10-11-31-22(15-29)21-13-19(18-3-1-2-4-20(18)27-21)23(30)28-24-26-9-12-32-24/h1-9,12-13,22H,10-11,14-15H2,(H,26,28,30)/t22-/m0/s1
InChIKeyVAJNRIOUKGSBDU-QFIPXVFZSA-N
MW448.52 g/mol
LogP4.66
Rot. Bonds5

About 2-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide

2-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (PubChem CID 92638333) has the molecular formula C24H21FN4O2S and a molecular weight of 448.52 g/mol. Its IUPAC name is 2-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
PubChem CID92638333
Molecular FormulaC24H21FN4O2S
Molecular Weight448.52 g/mol
Exact Mass448.14
IUPAC Name2-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nccs1)c1cc([C@@H]2CN(Cc3ccc(F)cc3)CCO2)nc2ccccc12
InChIInChI=1S/C24H21FN4O2S/c25-17-7-5-16(6-8-17)14-29-10-11-31-22(15-29)21-13-19(18-3-1-2-4-20(18)27-21)23(30)28-24-26-9-12-32-24/h1-9,12-13,22H,10-11,14-15H2,(H,26,28,30)/t22-/m0/s1
InChIKeyVAJNRIOUKGSBDU-QFIPXVFZSA-N
XLogP4.66
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2R)-4-[2-(dimethylamino)-2-oxoethyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 92638362
2-[(2S)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 92638425
2-[(2R)-4-(2-pyrazol-1-ylacetyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 92638980
2-[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 92636722
2-[(2R)-4-cycloheptylmorpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 92637050
2-[(2S)-4-(3-methylbutanoyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 92639289
2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2322249
2-[(3S)-1-(3-amino-3-oxopropyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 92638579
2-[1-(3-amino-3-oxopropyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 110251586
2-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 95812944
2-[(3S)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 92637041
2-[(3S)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 92638791

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (CID 92638333) is 2-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is O=C(Nc1nccs1)c1cc([C@@H]2CN(Cc3ccc(F)cc3)CCO2)nc2ccccc12.
What is the InChIKey of 2-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is VAJNRIOUKGSBDU-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H21FN4O2S/c25-17-7-5-16(6-8-17)14-29-10-11-31-22(15-29)21-13-19(18-3-1-2-4-20(18)27-21)23(30)28-24-26-9-12-32-24/h1-9,12-13,22H,10-11,14-15H2,(H,26,28,30)/t22-/m0/s1.
What are the key properties of 2-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
2-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 92638333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).