4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]quinoline-3-carboxamide

C19H17ClN2O2 — CID 44590732

IUPAC4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]quinoline-3-carboxamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)c1cnc2ccccc2c1Cl
InChIInChI=1S/C19H17ClN2O2/c20-18-15-8-4-5-9-17(15)21-11-16(18)19(24)22-14(12-23)10-13-6-2-1-3-7-13/h1-9,11,14,23H,10,12H2,(H,22,24)/t14-/m0/s1
InChIKeyZTTMGEDSZYOSHL-AWEZNQCLSA-N
MW340.81 g/mol
LogP3.22
Rot. Bonds5

About 4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]quinoline-3-carboxamide

4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]quinoline-3-carboxamide (PubChem CID 44590732) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]quinoline-3-carboxamide
PubChem CID44590732
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]quinoline-3-carboxamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)c1cnc2ccccc2c1Cl
InChIInChI=1S/C19H17ClN2O2/c20-18-15-8-4-5-9-17(15)21-11-16(18)19(24)22-14(12-23)10-13-6-2-1-3-7-13/h1-9,11,14,23H,10,12H2,(H,22,24)/t14-/m0/s1
InChIKeyZTTMGEDSZYOSHL-AWEZNQCLSA-N
XLogP3.22
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(2S)-1-hydroxypropan-2-yl]quinoline-3-carboxamide
CID 44590733
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 42364147
2,5-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 107860871
4-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673887
4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 102673766
2,3-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861388
3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 107861114
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylquinoline-4-carboxamide
CID 15489616
5-chloro-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260573
5-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide
CID 102673867
3-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861450
N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-2-carboxamide
CID 55169382

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]quinoline-3-carboxamide?
The IUPAC name of 4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]quinoline-3-carboxamide (CID 44590732) is 4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]quinoline-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]quinoline-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]quinoline-3-carboxamide is O=C(N[C@H](CO)Cc1ccccc1)c1cnc2ccccc2c1Cl.
What is the InChIKey of 4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]quinoline-3-carboxamide?
The InChIKey is ZTTMGEDSZYOSHL-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c20-18-15-8-4-5-9-17(15)21-11-16(18)19(24)22-14(12-23)10-13-6-2-1-3-7-13/h1-9,11,14,23H,10,12H2,(H,22,24)/t14-/m0/s1.
What are the key properties of 4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]quinoline-3-carboxamide?
4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]quinoline-3-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]quinoline-3-carboxamide is sourced from PubChem (CID 44590732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).