6-(3-phenyl-1-phenylmethoxypropyl)quinoline

C25H23NO — CID 102460471

IUPAC6-(3-phenyl-1-phenylmethoxypropyl)quinoline
SMILESc1ccc(CCC(OCc2ccccc2)c2ccc3ncccc3c2)cc1
InChIInChI=1S/C25H23NO/c1-3-8-20(9-4-1)13-16-25(27-19-21-10-5-2-6-11-21)23-14-15-24-22(18-23)12-7-17-26-24/h1-12,14-15,17-18,25H,13,16,19H2
InChIKeyZBMBTPSXNYRFOD-UHFFFAOYSA-N
MW353.47 g/mol
LogP6.13
Rot. Bonds7

About 6-(3-phenyl-1-phenylmethoxypropyl)quinoline

6-(3-phenyl-1-phenylmethoxypropyl)quinoline (PubChem CID 102460471) has the molecular formula C25H23NO and a molecular weight of 353.47 g/mol. Its IUPAC name is 6-(3-phenyl-1-phenylmethoxypropyl)quinoline.

Molecular Properties

Compound Name6-(3-phenyl-1-phenylmethoxypropyl)quinoline
PubChem CID102460471
Molecular FormulaC25H23NO
Molecular Weight353.47 g/mol
Exact Mass353.18
IUPAC Name6-(3-phenyl-1-phenylmethoxypropyl)quinoline
SMILESc1ccc(CCC(OCc2ccccc2)c2ccc3ncccc3c2)cc1
InChIInChI=1S/C25H23NO/c1-3-8-20(9-4-1)13-16-25(27-19-21-10-5-2-6-11-21)23-14-15-24-22(18-23)12-7-17-26-24/h1-12,14-15,17-18,25H,13,16,19H2
InChIKeyZBMBTPSXNYRFOD-UHFFFAOYSA-N
XLogP6.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-1-quinolin-6-ylbutan-1-ol
CID 63097205
phenyl-[4-(3-phenyl-1-phenylmethoxypropyl)phenyl]methanone
CID 102460465
(3R)-3-(phenylmethoxycarbonylamino)-3-quinolin-6-ylpropanoic acid
CID 103667779
3-phenoxy-1-quinolin-6-ylpropan-1-amine
CID 78924724
3-pyridin-2-yl-1-quinolin-6-ylpropan-1-ol
CID 105118735
(3-pyridin-4-yl-1-quinolin-6-ylpropyl)hydrazine
CID 105327345
2-phenoxy-1-quinolin-6-ylethanol
CID 81220739
1,3-dimethyl-2-(3-phenyl-1-phenylmethoxypropyl)benzene
CID 154712363
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
3-(2-methylphenyl)-1-quinolin-6-ylpropan-1-amine
CID 105172408
4-phenyl-1-quinolin-7-ylbutan-1-amine
CID 105172595
phenylmethoxycarbonylamino 4,4-dimethyl-2-quinolin-6-ylpentanoate
CID 138544887

Frequently Asked Questions

What is the IUPAC name of 6-(3-phenyl-1-phenylmethoxypropyl)quinoline?
The IUPAC name of 6-(3-phenyl-1-phenylmethoxypropyl)quinoline (CID 102460471) is 6-(3-phenyl-1-phenylmethoxypropyl)quinoline.
What is the SMILES notation for 6-(3-phenyl-1-phenylmethoxypropyl)quinoline?
The canonical SMILES for 6-(3-phenyl-1-phenylmethoxypropyl)quinoline is c1ccc(CCC(OCc2ccccc2)c2ccc3ncccc3c2)cc1.
What is the InChIKey of 6-(3-phenyl-1-phenylmethoxypropyl)quinoline?
The InChIKey is ZBMBTPSXNYRFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO/c1-3-8-20(9-4-1)13-16-25(27-19-21-10-5-2-6-11-21)23-14-15-24-22(18-23)12-7-17-26-24/h1-12,14-15,17-18,25H,13,16,19H2.
What are the key properties of 6-(3-phenyl-1-phenylmethoxypropyl)quinoline?
6-(3-phenyl-1-phenylmethoxypropyl)quinoline has a molecular weight of 353.47 g/mol, XLogP of 6.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenyl-1-phenylmethoxypropyl)quinoline is sourced from PubChem (CID 102460471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).