2-methyl-8-(3-phenyl-1-phenylmethoxypropyl)quinoline

C26H25NO — CID 102460472

IUPAC2-methyl-8-(3-phenyl-1-phenylmethoxypropyl)quinoline
SMILESCc1ccc2cccc(C(CCc3ccccc3)OCc3ccccc3)c2n1
InChIInChI=1S/C26H25NO/c1-20-15-17-23-13-8-14-24(26(23)27-20)25(18-16-21-9-4-2-5-10-21)28-19-22-11-6-3-7-12-22/h2-15,17,25H,16,18-19H2,1H3
InChIKeyMHVUPKPQOOCHIQ-UHFFFAOYSA-N
MW367.49 g/mol
LogP6.43
Rot. Bonds7

About 2-methyl-8-(3-phenyl-1-phenylmethoxypropyl)quinoline

2-methyl-8-(3-phenyl-1-phenylmethoxypropyl)quinoline (PubChem CID 102460472) has the molecular formula C26H25NO and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-methyl-8-(3-phenyl-1-phenylmethoxypropyl)quinoline.

Molecular Properties

Compound Name2-methyl-8-(3-phenyl-1-phenylmethoxypropyl)quinoline
PubChem CID102460472
Molecular FormulaC26H25NO
Molecular Weight367.49 g/mol
Exact Mass367.19
IUPAC Name2-methyl-8-(3-phenyl-1-phenylmethoxypropyl)quinoline
SMILESCc1ccc2cccc(C(CCc3ccccc3)OCc3ccccc3)c2n1
InChIInChI=1S/C26H25NO/c1-20-15-17-23-13-8-14-24(26(23)27-20)25(18-16-21-9-4-2-5-10-21)28-19-22-11-6-3-7-12-22/h2-15,17,25H,16,18-19H2,1H3
InChIKeyMHVUPKPQOOCHIQ-UHFFFAOYSA-N
XLogP6.43
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dimethyl-2-(3-phenyl-1-phenylmethoxypropyl)benzene
CID 154712363
6-(3-phenyl-1-phenylmethoxypropyl)quinoline
CID 102460471
1-(2-methylquinolin-8-yl)hexan-1-ol
CID 102243588
methyl 2-(2-methylquinolin-8-yl)propanoate
CID 70983048
N-[(1R)-1,2-diphenylethyl]-N,2-dimethylquinolin-8-amine
CID 170010452
phenyl-[4-(3-phenyl-1-phenylmethoxypropyl)phenyl]methanone
CID 102460465
1-(6-methyl-2-pyridinyl)-3-(4-phenylbutan-2-yl)thiourea
CID 133215865
(3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-ol
CID 57321321
[(Z)-1-phenylhex-4-en-3-yl]oxymethylbenzene
CID 23649924
CID 6371660
CID 6371660
CID 66916636
CID 66916636
CID 69253745
CID 69253745

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(3-phenyl-1-phenylmethoxypropyl)quinoline?
The IUPAC name of 2-methyl-8-(3-phenyl-1-phenylmethoxypropyl)quinoline (CID 102460472) is 2-methyl-8-(3-phenyl-1-phenylmethoxypropyl)quinoline.
What is the SMILES notation for 2-methyl-8-(3-phenyl-1-phenylmethoxypropyl)quinoline?
The canonical SMILES for 2-methyl-8-(3-phenyl-1-phenylmethoxypropyl)quinoline is Cc1ccc2cccc(C(CCc3ccccc3)OCc3ccccc3)c2n1.
What is the InChIKey of 2-methyl-8-(3-phenyl-1-phenylmethoxypropyl)quinoline?
The InChIKey is MHVUPKPQOOCHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO/c1-20-15-17-23-13-8-14-24(26(23)27-20)25(18-16-21-9-4-2-5-10-21)28-19-22-11-6-3-7-12-22/h2-15,17,25H,16,18-19H2,1H3.
What are the key properties of 2-methyl-8-(3-phenyl-1-phenylmethoxypropyl)quinoline?
2-methyl-8-(3-phenyl-1-phenylmethoxypropyl)quinoline has a molecular weight of 367.49 g/mol, XLogP of 6.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(3-phenyl-1-phenylmethoxypropyl)quinoline is sourced from PubChem (CID 102460472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).