3-(3-methoxy-4-phenylmethoxyphenyl)-1-methylbenzo[f]quinoline

C28H23NO2 — CID 3111565

IUPAC3-(3-methoxy-4-phenylmethoxyphenyl)-1-methylbenzo[f]quinoline
SMILESCOc1cc(-c2cc(C)c3c(ccc4ccccc43)n2)ccc1OCc1ccccc1
InChIInChI=1S/C28H23NO2/c1-19-16-25(29-24-14-12-21-10-6-7-11-23(21)28(19)24)22-13-15-26(27(17-22)30-2)31-18-20-8-4-3-5-9-20/h3-17H,18H2,1-2H3
InChIKeyDUPSBICONWEBPY-UHFFFAOYSA-N
MW405.50 g/mol
LogP6.95
Rot. Bonds5

About 3-(3-methoxy-4-phenylmethoxyphenyl)-1-methylbenzo[f]quinoline

3-(3-methoxy-4-phenylmethoxyphenyl)-1-methylbenzo[f]quinoline (PubChem CID 3111565) has the molecular formula C28H23NO2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-(3-methoxy-4-phenylmethoxyphenyl)-1-methylbenzo[f]quinoline.

Molecular Properties

Compound Name3-(3-methoxy-4-phenylmethoxyphenyl)-1-methylbenzo[f]quinoline
PubChem CID3111565
Molecular FormulaC28H23NO2
Molecular Weight405.50 g/mol
Exact Mass405.17
IUPAC Name3-(3-methoxy-4-phenylmethoxyphenyl)-1-methylbenzo[f]quinoline
SMILESCOc1cc(-c2cc(C)c3c(ccc4ccccc43)n2)ccc1OCc1ccccc1
InChIInChI=1S/C28H23NO2/c1-19-16-25(29-24-14-12-21-10-6-7-11-23(21)28(19)24)22-13-15-26(27(17-22)30-2)31-18-20-8-4-3-5-9-20/h3-17H,18H2,1-2H3
InChIKeyDUPSBICONWEBPY-UHFFFAOYSA-N
XLogP6.95
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[3-(3,4-dimethoxyphenyl)benzo[f]quinolin-1-yl]acetate
CID 3648105
2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 110535216
3-[4-[(1R)-1-carboxyethoxy]-3-methoxyphenyl]benzo[f]quinoline-1-carboxylic acid
CID 7261584
2-(3,4-dimethoxy-5-phenylmethoxyphenyl)quinoline
CID 140606301
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-8-methylquinoline-4-carboxylic acid
CID 7139641
bis[1-(3-methoxy-4-phenylmethoxyphenyl)naphthalen-2-yl]methanone;manganese;bis(oxygen(2-))
CID 158376040
5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
CID 863210
3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3696985
2-[3-methoxy-4-(2-phenylethoxy)phenyl]-6-methylquinoline-4-carboxylate
CID 7139751
2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-6-methylquinoline-4-carboxylate
CID 7139755
2-methoxy-1-(2-methoxynaphthalen-1-yl)-3-phenylmethoxynaphthalene
CID 172829442
2-phenyl-4-phenylmethoxyquinoline
CID 14954067

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-phenylmethoxyphenyl)-1-methylbenzo[f]quinoline?
The IUPAC name of 3-(3-methoxy-4-phenylmethoxyphenyl)-1-methylbenzo[f]quinoline (CID 3111565) is 3-(3-methoxy-4-phenylmethoxyphenyl)-1-methylbenzo[f]quinoline.
What is the SMILES notation for 3-(3-methoxy-4-phenylmethoxyphenyl)-1-methylbenzo[f]quinoline?
The canonical SMILES for 3-(3-methoxy-4-phenylmethoxyphenyl)-1-methylbenzo[f]quinoline is COc1cc(-c2cc(C)c3c(ccc4ccccc43)n2)ccc1OCc1ccccc1.
What is the InChIKey of 3-(3-methoxy-4-phenylmethoxyphenyl)-1-methylbenzo[f]quinoline?
The InChIKey is DUPSBICONWEBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO2/c1-19-16-25(29-24-14-12-21-10-6-7-11-23(21)28(19)24)22-13-15-26(27(17-22)30-2)31-18-20-8-4-3-5-9-20/h3-17H,18H2,1-2H3.
What are the key properties of 3-(3-methoxy-4-phenylmethoxyphenyl)-1-methylbenzo[f]quinoline?
3-(3-methoxy-4-phenylmethoxyphenyl)-1-methylbenzo[f]quinoline has a molecular weight of 405.50 g/mol, XLogP of 6.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-phenylmethoxyphenyl)-1-methylbenzo[f]quinoline is sourced from PubChem (CID 3111565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).