2-[(2R)-4-benzoylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide

C25H27N3O3 — CID 92638905

IUPAC2-[(2R)-4-benzoylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
SMILESCC(C)CNC(=O)c1cc([C@H]2CN(C(=O)c3ccccc3)CCO2)nc2ccccc12
InChIInChI=1S/C25H27N3O3/c1-17(2)15-26-24(29)20-14-22(27-21-11-7-6-10-19(20)21)23-16-28(12-13-31-23)25(30)18-8-4-3-5-9-18/h3-11,14,17,23H,12-13,15-16H2,1-2H3,(H,26,29)/t23-/m1/s1
InChIKeyZMJOYRPFNSPQIQ-HSZRJFAPSA-N
MW417.51 g/mol
LogP3.83
Rot. Bonds5

About 2-[(2R)-4-benzoylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide

2-[(2R)-4-benzoylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide (PubChem CID 92638905) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[(2R)-4-benzoylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(2R)-4-benzoylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
PubChem CID92638905
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name2-[(2R)-4-benzoylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
SMILESCC(C)CNC(=O)c1cc([C@H]2CN(C(=O)c3ccccc3)CCO2)nc2ccccc12
InChIInChI=1S/C25H27N3O3/c1-17(2)15-26-24(29)20-14-22(27-21-11-7-6-10-19(20)21)23-16-28(12-13-31-23)25(30)18-8-4-3-5-9-18/h3-11,14,17,23H,12-13,15-16H2,1-2H3,(H,26,29)/t23-/m1/s1
InChIKeyZMJOYRPFNSPQIQ-HSZRJFAPSA-N
XLogP3.83
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-4-[2-(methylamino)pyrimidine-5-carbonyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638995
2-[(2R)-4-methylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638375
N-propan-2-yl-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92638218
[2-[4-(morpholine-4-carbonyl)quinolin-2-yl]morpholin-4-yl]-phenylmethanone
CID 110251818
2-[(2S)-4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638282
N-(2-methoxyethyl)-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92636667
N-propan-2-yl-2-[(2S)-4-(pyridine-3-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 95815271
N-(2-methoxyethyl)-2-[(2S)-4-(pyridine-2-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92636716
N-(2-methoxyethyl)-2-[(2R)-4-(pyridine-2-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92636717
2-[(3S)-1-[4-(methoxymethyl)benzoyl]pyrrolidin-3-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92637717
N-(2-methoxyethyl)-2-[(2S)-4-(1-methylpyrazole-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92636714
2-[(2S)-4-[2-(methylamino)pyridine-4-carbonyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92639143

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-benzoylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide?
The IUPAC name of 2-[(2R)-4-benzoylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide (CID 92638905) is 2-[(2R)-4-benzoylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-[(2R)-4-benzoylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-[(2R)-4-benzoylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide is CC(C)CNC(=O)c1cc([C@H]2CN(C(=O)c3ccccc3)CCO2)nc2ccccc12.
What is the InChIKey of 2-[(2R)-4-benzoylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide?
The InChIKey is ZMJOYRPFNSPQIQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-17(2)15-26-24(29)20-14-22(27-21-11-7-6-10-19(20)21)23-16-28(12-13-31-23)25(30)18-8-4-3-5-9-18/h3-11,14,17,23H,12-13,15-16H2,1-2H3,(H,26,29)/t23-/m1/s1.
What are the key properties of 2-[(2R)-4-benzoylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide?
2-[(2R)-4-benzoylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-benzoylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 92638905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).