2-[phenyl-(4-quinolin-8-ylphenyl)methoxy]pentanamide

C27H26N2O2 — CID 69472546

IUPAC2-[phenyl-(4-quinolin-8-ylphenyl)methoxy]pentanamide
SMILESCCCC(OC(c1ccccc1)c1ccc(-c2cccc3cccnc23)cc1)C(N)=O
InChIInChI=1S/C27H26N2O2/c1-2-8-24(27(28)30)31-26(21-9-4-3-5-10-21)22-16-14-19(15-17-22)23-13-6-11-20-12-7-18-29-25(20)23/h3-7,9-18,24,26H,2,8H2,1H3,(H2,28,30)
InChIKeyMXAYTBMRQNWYNG-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.66
Rot. Bonds8

About 2-[phenyl-(4-quinolin-8-ylphenyl)methoxy]pentanamide

2-[phenyl-(4-quinolin-8-ylphenyl)methoxy]pentanamide (PubChem CID 69472546) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-[phenyl-(4-quinolin-8-ylphenyl)methoxy]pentanamide.

Molecular Properties

Compound Name2-[phenyl-(4-quinolin-8-ylphenyl)methoxy]pentanamide
PubChem CID69472546
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC Name2-[phenyl-(4-quinolin-8-ylphenyl)methoxy]pentanamide
SMILESCCCC(OC(c1ccccc1)c1ccc(-c2cccc3cccnc23)cc1)C(N)=O
InChIInChI=1S/C27H26N2O2/c1-2-8-24(27(28)30)31-26(21-9-4-3-5-10-21)22-16-14-19(15-17-22)23-13-6-11-20-12-7-18-29-25(20)23/h3-7,9-18,24,26H,2,8H2,1H3,(H2,28,30)
InChIKeyMXAYTBMRQNWYNG-UHFFFAOYSA-N
XLogP5.66
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-quinolin-8-yloxybutanamide
CID 62901439
3-(3-quinolin-8-ylphenyl)butanoic acid
CID 82543049
mercury;8-phenylquinoline;hydrate
CID 174770535
N,N-diphenyl-4-quinolin-8-ylaniline
CID 122210729
bis(lanthanum(3+));bis(1,10-phenanthroline);hexakis((2R)-2-phenylbutanoate)
CID 139201180
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylpentanamide
CID 102253770
3-(dipropylcarbamoyl)-5-quinolin-8-ylbenzoic acid
CID 21085789
(2S)-2-[cyanomethyl-[2,2,2-trifluoro-1-(4-quinolin-8-ylphenyl)ethyl]amino]-4-methylpentanamide
CID 87345832
1-[4-[hydroxy-(4-quinolin-8-ylphenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 155337469
methyl 3-quinolin-8-ylbenzoate
CID 4189037
(2R)-2-phenyl-2-[(2-quinolin-8-ylacetyl)amino]acetamide
CID 94598983
(2S)-2-amino-N-(quinolin-8-ylmethyl)pentanamide
CID 107570250

Frequently Asked Questions

What is the IUPAC name of 2-[phenyl-(4-quinolin-8-ylphenyl)methoxy]pentanamide?
The IUPAC name of 2-[phenyl-(4-quinolin-8-ylphenyl)methoxy]pentanamide (CID 69472546) is 2-[phenyl-(4-quinolin-8-ylphenyl)methoxy]pentanamide.
What is the SMILES notation for 2-[phenyl-(4-quinolin-8-ylphenyl)methoxy]pentanamide?
The canonical SMILES for 2-[phenyl-(4-quinolin-8-ylphenyl)methoxy]pentanamide is CCCC(OC(c1ccccc1)c1ccc(-c2cccc3cccnc23)cc1)C(N)=O.
What is the InChIKey of 2-[phenyl-(4-quinolin-8-ylphenyl)methoxy]pentanamide?
The InChIKey is MXAYTBMRQNWYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2/c1-2-8-24(27(28)30)31-26(21-9-4-3-5-10-21)22-16-14-19(15-17-22)23-13-6-11-20-12-7-18-29-25(20)23/h3-7,9-18,24,26H,2,8H2,1H3,(H2,28,30).
What are the key properties of 2-[phenyl-(4-quinolin-8-ylphenyl)methoxy]pentanamide?
2-[phenyl-(4-quinolin-8-ylphenyl)methoxy]pentanamide has a molecular weight of 410.52 g/mol, XLogP of 5.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[phenyl-(4-quinolin-8-ylphenyl)methoxy]pentanamide is sourced from PubChem (CID 69472546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).