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

C25H33N3O3 — CID 92639075

IUPAC2-[(2R)-4-(3-cyclopentylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)NC(=O)c1cc([C@H]2CN(C(=O)CCC3CCCC3)CCO2)nc2ccccc12
InChIInChI=1S/C25H33N3O3/c1-17(2)26-25(30)20-15-22(27-21-10-6-5-9-19(20)21)23-16-28(13-14-31-23)24(29)12-11-18-7-3-4-8-18/h5-6,9-10,15,17-18,23H,3-4,7-8,11-14,16H2,1-2H3,(H,26,30)/t23-/m1/s1
InChIKeyOUWCTOPUESTXNW-HSZRJFAPSA-N
MW423.56 g/mol
LogP4.24
Rot. Bonds6

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

2-[(2R)-4-(3-cyclopentylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide (PubChem CID 92639075) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-[(2R)-4-(3-cyclopentylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(2R)-4-(3-cyclopentylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
PubChem CID92639075
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name2-[(2R)-4-(3-cyclopentylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)NC(=O)c1cc([C@H]2CN(C(=O)CCC3CCCC3)CCO2)nc2ccccc12
InChIInChI=1S/C25H33N3O3/c1-17(2)26-25(30)20-15-22(27-21-10-6-5-9-19(20)21)23-16-28(13-14-31-23)24(29)12-11-18-7-3-4-8-18/h5-6,9-10,15,17-18,23H,3-4,7-8,11-14,16H2,1-2H3,(H,26,30)/t23-/m1/s1
InChIKeyOUWCTOPUESTXNW-HSZRJFAPSA-N
XLogP4.24
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2R)-4-(3-cyclopentylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 95812979
2-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 95813013
2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92639121
N-propan-2-yl-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92638218
N-propan-2-yl-2-[(2S)-4-(pyridine-3-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 95815271
2-[4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 155983035
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-[(2S)-4-[2-(methylamino)pyridine-4-carbonyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92639143
2-[(2R)-4-[2-(methylamino)pyridine-4-carbonyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92639142
2-[(3S)-1-[3-(4-methylpiperidin-1-yl)propanoyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92638645
2-[(2R)-4-benzoylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638905

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(3-cyclopentylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of 2-[(2R)-4-(3-cyclopentylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide (CID 92639075) is 2-[(2R)-4-(3-cyclopentylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-[(2R)-4-(3-cyclopentylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for 2-[(2R)-4-(3-cyclopentylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide is CC(C)NC(=O)c1cc([C@H]2CN(C(=O)CCC3CCCC3)CCO2)nc2ccccc12.
What is the InChIKey of 2-[(2R)-4-(3-cyclopentylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide?
The InChIKey is OUWCTOPUESTXNW-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-17(2)26-25(30)20-15-22(27-21-10-6-5-9-19(20)21)23-16-28(13-14-31-23)24(29)12-11-18-7-3-4-8-18/h5-6,9-10,15,17-18,23H,3-4,7-8,11-14,16H2,1-2H3,(H,26,30)/t23-/m1/s1.
What are the key properties of 2-[(2R)-4-(3-cyclopentylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide?
2-[(2R)-4-(3-cyclopentylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 4.24, 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-cyclopentylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 92639075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).