N-(3-hydroxy-1-phenylpropyl)-2-phenylquinoline-4-carboxamide

C25H22N2O2 — CID 10714925

IUPACN-(3-hydroxy-1-phenylpropyl)-2-phenylquinoline-4-carboxamide
SMILESO=C(NC(CCO)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C25H22N2O2/c28-16-15-22(18-9-3-1-4-10-18)27-25(29)21-17-24(19-11-5-2-6-12-19)26-23-14-8-7-13-20(21)23/h1-14,17,22,28H,15-16H2,(H,27,29)
InChIKeyXTESXBGBBODSKW-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.76
Rot. Bonds6

About N-(3-hydroxy-1-phenylpropyl)-2-phenylquinoline-4-carboxamide

N-(3-hydroxy-1-phenylpropyl)-2-phenylquinoline-4-carboxamide (PubChem CID 10714925) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(3-hydroxy-1-phenylpropyl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-1-phenylpropyl)-2-phenylquinoline-4-carboxamide
PubChem CID10714925
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC NameN-(3-hydroxy-1-phenylpropyl)-2-phenylquinoline-4-carboxamide
SMILESO=C(NC(CCO)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C25H22N2O2/c28-16-15-22(18-9-3-1-4-10-18)27-25(29)21-17-24(19-11-5-2-6-12-19)26-23-14-8-7-13-20(21)23/h1-14,17,22,28H,15-16H2,(H,27,29)
InChIKeyXTESXBGBBODSKW-UHFFFAOYSA-N
XLogP4.76
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 ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methylphenyl)propyl]-2-phenylquinoline-4-carboxamide
CID 3306619
N-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-2-phenylquinoline-4-carboxamide
CID 10577234
N-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide
CID 3975815
2-(3-fluorophenyl)-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 11646686
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylquinoline-4-carboxamide
CID 15489616
methyl (2R)-2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate
CID 6604858
N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide
CID 10621487
N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 42749565
N-[2-[(2-aminophenyl)methylamino]-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide
CID 67208958
2-(1-ethylpyrazol-4-yl)-N-(1-phenylpropyl)quinoline-4-carboxamide
CID 19518623
N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
CID 757603
N-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide
CID 71170471

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-1-phenylpropyl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(3-hydroxy-1-phenylpropyl)-2-phenylquinoline-4-carboxamide (CID 10714925) is N-(3-hydroxy-1-phenylpropyl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-hydroxy-1-phenylpropyl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(3-hydroxy-1-phenylpropyl)-2-phenylquinoline-4-carboxamide is O=C(NC(CCO)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-(3-hydroxy-1-phenylpropyl)-2-phenylquinoline-4-carboxamide?
The InChIKey is XTESXBGBBODSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c28-16-15-22(18-9-3-1-4-10-18)27-25(29)21-17-24(19-11-5-2-6-12-19)26-23-14-8-7-13-20(21)23/h1-14,17,22,28H,15-16H2,(H,27,29).
What are the key properties of N-(3-hydroxy-1-phenylpropyl)-2-phenylquinoline-4-carboxamide?
N-(3-hydroxy-1-phenylpropyl)-2-phenylquinoline-4-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-1-phenylpropyl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 10714925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).