N-[3-hydroxy-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]quinoline-4-carboxamide

C23H24N4O3 — CID 3276520

IUPACN-[3-hydroxy-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]quinoline-4-carboxamide
SMILESO=C(NC(CO)C(=O)N1CCN(c2ccccc2)CC1)c1ccnc2ccccc12
InChIInChI=1S/C23H24N4O3/c28-16-21(25-22(29)19-10-11-24-20-9-5-4-8-18(19)20)23(30)27-14-12-26(13-15-27)17-6-2-1-3-7-17/h1-11,21,28H,12-16H2,(H,25,29)
InChIKeyVXGCCFRFKORTQG-UHFFFAOYSA-N
MW404.47 g/mol
LogP1.67
Rot. Bonds5

About N-[3-hydroxy-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]quinoline-4-carboxamide

N-[3-hydroxy-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]quinoline-4-carboxamide (PubChem CID 3276520) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[3-hydroxy-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]quinoline-4-carboxamide
PubChem CID3276520
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[3-hydroxy-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]quinoline-4-carboxamide
SMILESO=C(NC(CO)C(=O)N1CCN(c2ccccc2)CC1)c1ccnc2ccccc12
InChIInChI=1S/C23H24N4O3/c28-16-21(25-22(29)19-10-11-24-20-9-5-4-8-18(19)20)23(30)27-14-12-26(13-15-27)17-6-2-1-3-7-17/h1-11,21,28H,12-16H2,(H,25,29)
InChIKeyVXGCCFRFKORTQG-UHFFFAOYSA-N
XLogP1.67
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 5096107
N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]benzamide
CID 4660034
N-[(2S)-3-hydroxy-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-3-phenylprop-2-enamide
CID 6724445
N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide
CID 6667383
N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide
CID 3460373
N-[(2S)-1-[4-(4-acetylphenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]quinoline-2-carboxamide
CID 6724000
3-(quinoline-4-carbonylamino)butanoic acid
CID 81455717
2-[3-[4-(quinoline-4-carbonyl)piperazin-1-yl]phenyl]acetic acid
CID 22399354
N-pentan-3-ylquinoline-4-carboxamide
CID 78813506
N-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 6724640
methyl 3-hydroxy-2-(quinoline-5-carbonylamino)propanoate
CID 43422482
N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 6724167

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]quinoline-4-carboxamide?
The IUPAC name of N-[3-hydroxy-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]quinoline-4-carboxamide (CID 3276520) is N-[3-hydroxy-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-[3-hydroxy-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]quinoline-4-carboxamide?
The canonical SMILES for N-[3-hydroxy-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]quinoline-4-carboxamide is O=C(NC(CO)C(=O)N1CCN(c2ccccc2)CC1)c1ccnc2ccccc12.
What is the InChIKey of N-[3-hydroxy-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]quinoline-4-carboxamide?
The InChIKey is VXGCCFRFKORTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c28-16-21(25-22(29)19-10-11-24-20-9-5-4-8-18(19)20)23(30)27-14-12-26(13-15-27)17-6-2-1-3-7-17/h1-11,21,28H,12-16H2,(H,25,29).
What are the key properties of N-[3-hydroxy-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]quinoline-4-carboxamide?
N-[3-hydroxy-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]quinoline-4-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 3276520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).