7-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C19H19FN2O3 — CID 97331257

IUPAC7-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C1CCc2cc(C(=O)N[C@H](CO)Cc3ccccc3)c(F)cc2N1
InChIInChI=1S/C19H19FN2O3/c20-16-10-17-13(6-7-18(24)22-17)9-15(16)19(25)21-14(11-23)8-12-4-2-1-3-5-12/h1-5,9-10,14,23H,6-8,11H2,(H,21,25)(H,22,24)/t14-/m0/s1
InChIKeyHCDMJAOJUNSUKR-AWEZNQCLSA-N
MW342.37 g/mol
LogP2.04
Rot. Bonds5

About 7-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

7-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 97331257) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 7-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID97331257
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name7-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C1CCc2cc(C(=O)N[C@H](CO)Cc3ccccc3)c(F)cc2N1
InChIInChI=1S/C19H19FN2O3/c20-16-10-17-13(6-7-18(24)22-17)9-15(16)19(25)21-14(11-23)8-12-4-2-1-3-5-12/h1-5,9-10,14,23H,6-8,11H2,(H,21,25)(H,22,24)/t14-/m0/s1
InChIKeyHCDMJAOJUNSUKR-AWEZNQCLSA-N
XLogP2.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 7-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide with MolForge

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Related Compounds

3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 120522203
4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]pentanoic acid
CID 120534807
5-chloro-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260573
6-(1-chloro-2-phenylethyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61083648
4-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673887
2-fluoro-4-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 104696636
4-(dimethylamino)-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 84592943
(2S)-2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-2-[(3S)-oxan-3-yl]acetic acid
CID 129467651
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
5-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide
CID 107861282
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 107861371
N-(1-hydroxy-3-phenylpropan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 63260416

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of 7-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 97331257) is 7-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for 7-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for 7-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is O=C1CCc2cc(C(=O)N[C@H](CO)Cc3ccccc3)c(F)cc2N1.
What is the InChIKey of 7-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is HCDMJAOJUNSUKR-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-16-10-17-13(6-7-18(24)22-17)9-15(16)19(25)21-14(11-23)8-12-4-2-1-3-5-12/h1-5,9-10,14,23H,6-8,11H2,(H,21,25)(H,22,24)/t14-/m0/s1.
What are the key properties of 7-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
7-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 97331257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).