2-[(2S)-4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide

C26H28FN3O3 — CID 92638282

IUPAC2-[(2S)-4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
SMILESCC(C)CNC(=O)c1cc([C@@H]2CN(C(=O)Cc3cccc(F)c3)CCO2)nc2ccccc12
InChIInChI=1S/C26H28FN3O3/c1-17(2)15-28-26(32)21-14-23(29-22-9-4-3-8-20(21)22)24-16-30(10-11-33-24)25(31)13-18-6-5-7-19(27)12-18/h3-9,12,14,17,24H,10-11,13,15-16H2,1-2H3,(H,28,32)/t24-/m0/s1
InChIKeyICJDXNNNEALXJQ-DEOSSOPVSA-N
MW449.53 g/mol
LogP3.90
Rot. Bonds6

About 2-[(2S)-4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide

2-[(2S)-4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide (PubChem CID 92638282) has the molecular formula C26H28FN3O3 and a molecular weight of 449.53 g/mol. Its IUPAC name is 2-[(2S)-4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(2S)-4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
PubChem CID92638282
Molecular FormulaC26H28FN3O3
Molecular Weight449.53 g/mol
Exact Mass449.21
IUPAC Name2-[(2S)-4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
SMILESCC(C)CNC(=O)c1cc([C@@H]2CN(C(=O)Cc3cccc(F)c3)CCO2)nc2ccccc12
InChIInChI=1S/C26H28FN3O3/c1-17(2)15-28-26(32)21-14-23(29-22-9-4-3-8-20(21)22)24-16-30(10-11-33-24)25(31)13-18-6-5-7-19(27)12-18/h3-9,12,14,17,24H,10-11,13,15-16H2,1-2H3,(H,28,32)/t24-/m0/s1
InChIKeyICJDXNNNEALXJQ-DEOSSOPVSA-N
XLogP3.90
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-4-benzoylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638905
2-[(2R)-4-methylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638375
2-[(2S)-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638995
2-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 95812979
2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 110251973
2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92639121
N-(2-hydroxyethyl)-2-[(2R)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide
CID 92638200
N-(2-hydroxyethyl)-2-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]quinoline-4-carboxamide
CID 110252018
2-[(2S)-4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylquinoline-4-carboxamide
CID 95812989
2-[(2R)-4-(3-cyclopentylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92639075
2-[(2R)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92639058
N,N-dimethyl-2-[(2S)-4-(2-pyridin-2-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide
CID 95812995

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide?
The IUPAC name of 2-[(2S)-4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide (CID 92638282) is 2-[(2S)-4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-[(2S)-4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-[(2S)-4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide is CC(C)CNC(=O)c1cc([C@@H]2CN(C(=O)Cc3cccc(F)c3)CCO2)nc2ccccc12.
What is the InChIKey of 2-[(2S)-4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide?
The InChIKey is ICJDXNNNEALXJQ-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H28FN3O3/c1-17(2)15-28-26(32)21-14-23(29-22-9-4-3-8-20(21)22)24-16-30(10-11-33-24)25(31)13-18-6-5-7-19(27)12-18/h3-9,12,14,17,24H,10-11,13,15-16H2,1-2H3,(H,28,32)/t24-/m0/s1.
What are the key properties of 2-[(2S)-4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide?
2-[(2S)-4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 92638282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).