2-[(2S)-4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylquinoline-4-carboxamide

C25H26FN3O3 — CID 95812989

IUPAC2-[(2S)-4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylquinoline-4-carboxamide
SMILESCN(C)C(=O)c1cc([C@@H]2CN(C(=O)CCc3ccc(F)cc3)CCO2)nc2ccccc12
InChIInChI=1S/C25H26FN3O3/c1-28(2)25(31)20-15-22(27-21-6-4-3-5-19(20)21)23-16-29(13-14-32-23)24(30)12-9-17-7-10-18(26)11-8-17/h3-8,10-11,15,23H,9,12-14,16H2,1-2H3/t23-/m0/s1
InChIKeyFIAVVEMFJQVNDU-QHCPKHFHSA-N
MW435.50 g/mol
LogP3.61
Rot. Bonds5

About 2-[(2S)-4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylquinoline-4-carboxamide

2-[(2S)-4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylquinoline-4-carboxamide (PubChem CID 95812989) has the molecular formula C25H26FN3O3 and a molecular weight of 435.50 g/mol. Its IUPAC name is 2-[(2S)-4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(2S)-4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylquinoline-4-carboxamide
PubChem CID95812989
Molecular FormulaC25H26FN3O3
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC Name2-[(2S)-4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylquinoline-4-carboxamide
SMILESCN(C)C(=O)c1cc([C@@H]2CN(C(=O)CCc3ccc(F)cc3)CCO2)nc2ccccc12
InChIInChI=1S/C25H26FN3O3/c1-28(2)25(31)20-15-22(27-21-6-4-3-5-19(20)21)23-16-29(13-14-32-23)24(30)12-9-17-7-10-18(26)11-8-17/h3-8,10-11,15,23H,9,12-14,16H2,1-2H3/t23-/m0/s1
InChIKeyFIAVVEMFJQVNDU-QHCPKHFHSA-N
XLogP3.61
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92636928
2-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 95812979
N,N-dimethyl-2-[(2S)-4-(2-pyridin-2-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide
CID 95812995
2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide
CID 110251578
3-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 127248417
2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92639121
2-[(2S)-4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638282
N,N-dimethyl-2-[(2R)-4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholin-2-yl]quinoline-4-carboxamide
CID 92638391
N-(2-hydroxyethyl)-N-methyl-2-[(2S)-4-(2-piperidin-1-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92638296
2-[(2R)-4-(diethylsulfamoyl)morpholin-2-yl]-N,N-dimethylquinoline-4-carboxamide
CID 92638952
N,N-dimethyl-2-[(2R)-4-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92639254
N,N-dimethyl-2-[4-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 110251734

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylquinoline-4-carboxamide?
The IUPAC name of 2-[(2S)-4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylquinoline-4-carboxamide (CID 95812989) is 2-[(2S)-4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylquinoline-4-carboxamide.
What is the SMILES notation for 2-[(2S)-4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylquinoline-4-carboxamide?
The canonical SMILES for 2-[(2S)-4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylquinoline-4-carboxamide is CN(C)C(=O)c1cc([C@@H]2CN(C(=O)CCc3ccc(F)cc3)CCO2)nc2ccccc12.
What is the InChIKey of 2-[(2S)-4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylquinoline-4-carboxamide?
The InChIKey is FIAVVEMFJQVNDU-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H26FN3O3/c1-28(2)25(31)20-15-22(27-21-6-4-3-5-19(20)21)23-16-29(13-14-32-23)24(30)12-9-17-7-10-18(26)11-8-17/h3-8,10-11,15,23H,9,12-14,16H2,1-2H3/t23-/m0/s1.
What are the key properties of 2-[(2S)-4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylquinoline-4-carboxamide?
2-[(2S)-4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylquinoline-4-carboxamide has a molecular weight of 435.50 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 95812989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).