N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]quinoline-8-carboxamide

C22H20FN3O3 — CID 155519459

IUPACN-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]quinoline-8-carboxamide
SMILESO=C(CF)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2cccnc12
InChIInChI=1S/C22H20FN3O3/c23-13-17(27)14-25-22(29)19(12-15-6-2-1-3-7-15)26-21(28)18-10-4-8-16-9-5-11-24-20(16)18/h1-11,19H,12-14H2,(H,25,29)(H,26,28)/t19-/m0/s1
InChIKeyJBOWXQXSWZMTBF-IBGZPJMESA-N
MW393.42 g/mol
LogP2.23
Rot. Bonds8

About N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]quinoline-8-carboxamide

N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]quinoline-8-carboxamide (PubChem CID 155519459) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]quinoline-8-carboxamide
PubChem CID155519459
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC NameN-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]quinoline-8-carboxamide
SMILESO=C(CF)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2cccnc12
InChIInChI=1S/C22H20FN3O3/c23-13-17(27)14-25-22(29)19(12-15-6-2-1-3-7-15)26-21(28)18-10-4-8-16-9-5-11-24-20(16)18/h1-11,19H,12-14H2,(H,25,29)(H,26,28)/t19-/m0/s1
InChIKeyJBOWXQXSWZMTBF-IBGZPJMESA-N
XLogP2.23
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]quinoline-8-carboxamide with MolForge

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Related Compounds

(2S)-N-(3-fluoro-2-oxopropyl)-3-phenyl-2-(3-phenylpropanoylamino)propanamide
CID 155550028
tert-butyl N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 155559004
2-(quinoline-8-carbonylamino)-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid
CID 10116501
N-[(2S)-6-(diaminomethyl)-3,5,7-trioxo-1,8-diphenyl-8-pyridin-2-yloctan-2-yl]quinoline-8-carboxamide
CID 57164625
N-(1-phenylethyl)quinoline-8-carboxamide
CID 51180563
2-[[2-[(9-oxofluorene-4-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid
CID 4839560
N-[(2-hydroxyphenyl)methyl]quinoline-8-carboxamide
CID 115598832
N-[(2S)-1-[[4-[[[(2S)-2-[(2,3-dihydroxybenzoyl)amino]-3-phenylpropanoyl]amino]methyl]phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]-2,3-dihydroxybenzamide
CID 11600105
benzyl N-[(2S)-3-(3-chlorophenyl)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxopropan-2-yl]carbamate
CID 155550140
2-phenyl-1-quinolin-8-ylethanone
CID 10999362
3-methoxy-4-(quinoline-8-carbonylamino)butanoic acid
CID 103152748
N-[(2S)-1-[[2-hydroxy-3-[(4-phenoxybenzoyl)amino]propyl]amino]-4-methyl-1-oxopentan-2-yl]quinoline-8-carboxamide
CID 54276009

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]quinoline-8-carboxamide?
The IUPAC name of N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]quinoline-8-carboxamide (CID 155519459) is N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]quinoline-8-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]quinoline-8-carboxamide?
The canonical SMILES for N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]quinoline-8-carboxamide is O=C(CF)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2cccnc12.
What is the InChIKey of N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]quinoline-8-carboxamide?
The InChIKey is JBOWXQXSWZMTBF-IBGZPJMESA-N. The full InChI is InChI=1S/C22H20FN3O3/c23-13-17(27)14-25-22(29)19(12-15-6-2-1-3-7-15)26-21(28)18-10-4-8-16-9-5-11-24-20(16)18/h1-11,19H,12-14H2,(H,25,29)(H,26,28)/t19-/m0/s1.
What are the key properties of N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]quinoline-8-carboxamide?
N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]quinoline-8-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]quinoline-8-carboxamide is sourced from PubChem (CID 155519459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).