2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide

C26H28FN3O3 — CID 92639121

IUPAC2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)NC(=O)c1cc([C@H]2CN(C(=O)CCc3ccccc3F)CCO2)nc2ccccc12
InChIInChI=1S/C26H28FN3O3/c1-17(2)28-26(32)20-15-23(29-22-10-6-4-8-19(20)22)24-16-30(13-14-33-24)25(31)12-11-18-7-3-5-9-21(18)27/h3-10,15,17,24H,11-14,16H2,1-2H3,(H,28,32)/t24-/m1/s1
InChIKeyPSBTZVKAMGKOJU-XMMPIXPASA-N
MW449.53 g/mol
LogP4.04
Rot. Bonds6

About 2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide

2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide (PubChem CID 92639121) has the molecular formula C26H28FN3O3 and a molecular weight of 449.53 g/mol. Its IUPAC name is 2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
PubChem CID92639121
Molecular FormulaC26H28FN3O3
Molecular Weight449.53 g/mol
Exact Mass449.21
IUPAC Name2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)NC(=O)c1cc([C@H]2CN(C(=O)CCc3ccccc3F)CCO2)nc2ccccc12
InChIInChI=1S/C26H28FN3O3/c1-17(2)28-26(32)20-15-23(29-22-10-6-4-8-19(20)22)24-16-30(13-14-33-24)25(31)12-11-18-7-3-5-9-21(18)27/h3-10,15,17,24H,11-14,16H2,1-2H3,(H,28,32)/t24-/m1/s1
InChIKeyPSBTZVKAMGKOJU-XMMPIXPASA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 95812979
2-[(2R)-4-(3-cyclopentylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92639075
2-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 95813013
N-propan-2-yl-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92638218
1-[(2R)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(2-fluorophenyl)propan-1-one
CID 125017373
N-propan-2-yl-2-[(2S)-4-(pyridine-3-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 95815271
N-propan-2-yl-2-[(2S)-4-pyrimidin-2-ylmorpholin-2-yl]quinoline-4-carboxamide
CID 92638356
N-propan-2-yl-2-(4-pyrimidin-2-ylmorpholin-2-yl)quinoline-4-carboxamide
CID 110251927
2-[(2R)-4-[2-(methylamino)pyridine-4-carbonyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92639142
2-[(2S)-4-[2-(methylamino)pyridine-4-carbonyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92639143
2-[(2S)-4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638282
2-[(2S)-4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylquinoline-4-carboxamide
CID 95812989

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of 2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide (CID 92639121) is 2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for 2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide is CC(C)NC(=O)c1cc([C@H]2CN(C(=O)CCc3ccccc3F)CCO2)nc2ccccc12.
What is the InChIKey of 2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide?
The InChIKey is PSBTZVKAMGKOJU-XMMPIXPASA-N. The full InChI is InChI=1S/C26H28FN3O3/c1-17(2)28-26(32)20-15-23(29-22-10-6-4-8-19(20)22)24-16-30(13-14-33-24)25(31)12-11-18-7-3-5-9-21(18)27/h3-10,15,17,24H,11-14,16H2,1-2H3,(H,28,32)/t24-/m1/s1.
What are the key properties of 2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide?
2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 92639121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).