2-(3,4-dimethoxy-5-phenylmethoxyphenyl)quinoline

C24H21NO3 — CID 140606301

IUPAC2-(3,4-dimethoxy-5-phenylmethoxyphenyl)quinoline
SMILESCOc1cc(-c2ccc3ccccc3n2)cc(OCc2ccccc2)c1OC
InChIInChI=1S/C24H21NO3/c1-26-22-14-19(21-13-12-18-10-6-7-11-20(18)25-21)15-23(24(22)27-2)28-16-17-8-4-3-5-9-17/h3-15H,16H2,1-2H3
InChIKeyORRDPSWBFYHKFV-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.50
Rot. Bonds6

About 2-(3,4-dimethoxy-5-phenylmethoxyphenyl)quinoline

2-(3,4-dimethoxy-5-phenylmethoxyphenyl)quinoline (PubChem CID 140606301) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(3,4-dimethoxy-5-phenylmethoxyphenyl)quinoline.

Molecular Properties

Compound Name2-(3,4-dimethoxy-5-phenylmethoxyphenyl)quinoline
PubChem CID140606301
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name2-(3,4-dimethoxy-5-phenylmethoxyphenyl)quinoline
SMILESCOc1cc(-c2ccc3ccccc3n2)cc(OCc2ccccc2)c1OC
InChIInChI=1S/C24H21NO3/c1-26-22-14-19(21-13-12-18-10-6-7-11-20(18)25-21)15-23(24(22)27-2)28-16-17-8-4-3-5-9-17/h3-15H,16H2,1-2H3
InChIKeyORRDPSWBFYHKFV-UHFFFAOYSA-N
XLogP5.50
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-3-phenylmethoxyquinoline
CID 154390747
benzyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 2366983
2-methoxy-1-(2-methoxynaphthalen-1-yl)-3-phenylmethoxynaphthalene
CID 172829442
2-phenyl-4-phenylmethoxyquinoline
CID 14954067
3-(3-methoxy-4-phenylmethoxyphenyl)-1-methylbenzo[f]quinoline
CID 3111565
3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propanal
CID 71659035
carbonic acid;2-(3,4-dimethoxyphenyl)quinoline
CID 70367637
N-(3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 10275222
2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-benzimidazole
CID 110535118
1-[4-(3-methoxy-4-phenylmethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl]ethanone
CID 141435693
1,4-bis[5-(3,4-dimethoxy-5-phenylmethoxyphenyl)-2-pyridinyl]-1,4-diazepane
CID 20634961
naphthalen-1-ylmethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 3310095

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxy-5-phenylmethoxyphenyl)quinoline?
The IUPAC name of 2-(3,4-dimethoxy-5-phenylmethoxyphenyl)quinoline (CID 140606301) is 2-(3,4-dimethoxy-5-phenylmethoxyphenyl)quinoline.
What is the SMILES notation for 2-(3,4-dimethoxy-5-phenylmethoxyphenyl)quinoline?
The canonical SMILES for 2-(3,4-dimethoxy-5-phenylmethoxyphenyl)quinoline is COc1cc(-c2ccc3ccccc3n2)cc(OCc2ccccc2)c1OC.
What is the InChIKey of 2-(3,4-dimethoxy-5-phenylmethoxyphenyl)quinoline?
The InChIKey is ORRDPSWBFYHKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3/c1-26-22-14-19(21-13-12-18-10-6-7-11-20(18)25-21)15-23(24(22)27-2)28-16-17-8-4-3-5-9-17/h3-15H,16H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxy-5-phenylmethoxyphenyl)quinoline?
2-(3,4-dimethoxy-5-phenylmethoxyphenyl)quinoline has a molecular weight of 371.44 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxy-5-phenylmethoxyphenyl)quinoline is sourced from PubChem (CID 140606301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).