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

C25H22N2O2 — CID 15489616

IUPACN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylquinoline-4-carboxamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C25H22N2O2/c28-17-20(15-18-9-3-1-4-10-18)26-25(29)22-16-24(19-11-5-2-6-12-19)27-23-14-8-7-13-21(22)23/h1-14,16,20,28H,15,17H2,(H,26,29)/t20-/m0/s1
InChIKeyMJTGFMMUAZSUNA-FQEVSTJZSA-N
MW382.46 g/mol
LogP4.24
Rot. Bonds6

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

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylquinoline-4-carboxamide (PubChem CID 15489616) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylquinoline-4-carboxamide
PubChem CID15489616
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylquinoline-4-carboxamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C25H22N2O2/c28-17-20(15-18-9-3-1-4-10-18)26-25(29)22-16-24(19-11-5-2-6-12-19)27-23-14-8-7-13-21(22)23/h1-14,16,20,28H,15,17H2,(H,26,29)/t20-/m0/s1
InChIKeyMJTGFMMUAZSUNA-FQEVSTJZSA-N
XLogP4.24
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-1-phenylpropyl)-2-phenylquinoline-4-carboxamide
CID 10714925
N-(1-oxo-3-phenylpropan-2-yl)-2-(4-pyridin-3-ylphenyl)quinoline-4-carboxamide
CID 18694113
4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]quinoline-3-carboxamide
CID 44590732
N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 42749565
N-(1-hydroxy-3-phenylpropan-2-yl)-2-iodobenzamide
CID 6709695
N-[1-(4-methylphenyl)propyl]-2-phenylquinoline-4-carboxamide
CID 3306619
N-(1-fluoro-3-phenylpropan-2-yl)-2-pyrazolidin-4-ylquinoline-4-carboxamide
CID 75101095
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
methyl (2R)-2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate
CID 6604858
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylquinoline-4-carboxamide (CID 15489616) is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylquinoline-4-carboxamide is O=C(N[C@H](CO)Cc1ccccc1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylquinoline-4-carboxamide?
The InChIKey is MJTGFMMUAZSUNA-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H22N2O2/c28-17-20(15-18-9-3-1-4-10-18)26-25(29)22-16-24(19-11-5-2-6-12-19)27-23-14-8-7-13-21(22)23/h1-14,16,20,28H,15,17H2,(H,26,29)/t20-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylquinoline-4-carboxamide?
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylquinoline-4-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 15489616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).