2-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide

C26H29N3O3 — CID 95812979

IUPAC2-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)NC(=O)c1cc([C@@H]2CN(C(=O)CCc3ccccc3)CCO2)nc2ccccc12
InChIInChI=1S/C26H29N3O3/c1-18(2)27-26(31)21-16-23(28-22-11-7-6-10-20(21)22)24-17-29(14-15-32-24)25(30)13-12-19-8-4-3-5-9-19/h3-11,16,18,24H,12-15,17H2,1-2H3,(H,27,31)/t24-/m0/s1
InChIKeyHKRSFAHVRHYRPM-DEOSSOPVSA-N
MW431.54 g/mol
LogP3.91
Rot. Bonds6

About 2-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide

2-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide (PubChem CID 95812979) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
PubChem CID95812979
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name2-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)NC(=O)c1cc([C@@H]2CN(C(=O)CCc3ccccc3)CCO2)nc2ccccc12
InChIInChI=1S/C26H29N3O3/c1-18(2)27-26(31)21-16-23(28-22-11-7-6-10-20(21)22)24-17-29(14-15-32-24)25(30)13-12-19-8-4-3-5-9-19/h3-11,16,18,24H,12-15,17H2,1-2H3,(H,27,31)/t24-/m0/s1
InChIKeyHKRSFAHVRHYRPM-DEOSSOPVSA-N
XLogP3.91
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92639121
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
2-[(2S)-4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylquinoline-4-carboxamide
CID 95812989
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-[4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 155983035
2-[(2S)-4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638282

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of 2-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide (CID 95812979) is 2-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for 2-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide is CC(C)NC(=O)c1cc([C@@H]2CN(C(=O)CCc3ccccc3)CCO2)nc2ccccc12.
What is the InChIKey of 2-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide?
The InChIKey is HKRSFAHVRHYRPM-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-18(2)27-26(31)21-16-23(28-22-11-7-6-10-20(21)22)24-17-29(14-15-32-24)25(30)13-12-19-8-4-3-5-9-19/h3-11,16,18,24H,12-15,17H2,1-2H3,(H,27,31)/t24-/m0/s1.
What are the key properties of 2-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide?
2-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 95812979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).