[3-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-c]quinolin-8-yl]boronic acid

C19H18BN3O3 — CID 175991372

IUPAC[3-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-c]quinolin-8-yl]boronic acid
SMILESCOc1ccc(Cn2c(C)nc3c4cc(B(O)O)ccc4ncc32)cc1
InChIInChI=1S/C19H18BN3O3/c1-12-22-19-16-9-14(20(24)25)5-8-17(16)21-10-18(19)23(12)11-13-3-6-15(26-2)7-4-13/h3-10,24-25H,11H2,1-2H3
InChIKeyYBSLWRTWBMNZGA-UHFFFAOYSA-N
MW347.18 g/mol
LogP1.63
Rot. Bonds4

About [3-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-c]quinolin-8-yl]boronic acid

[3-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-c]quinolin-8-yl]boronic acid (PubChem CID 175991372) has the molecular formula C19H18BN3O3 and a molecular weight of 347.18 g/mol. Its IUPAC name is [3-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-c]quinolin-8-yl]boronic acid.

Molecular Properties

Compound Name[3-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-c]quinolin-8-yl]boronic acid
PubChem CID175991372
Molecular FormulaC19H18BN3O3
Molecular Weight347.18 g/mol
Exact Mass347.14
IUPAC Name[3-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-c]quinolin-8-yl]boronic acid
SMILESCOc1ccc(Cn2c(C)nc3c4cc(B(O)O)ccc4ncc32)cc1
InChIInChI=1S/C19H18BN3O3/c1-12-22-19-16-9-14(20(24)25)5-8-17(16)21-10-18(19)23(12)11-13-3-6-15(26-2)7-4-13/h3-10,24-25H,11H2,1-2H3
InChIKeyYBSLWRTWBMNZGA-UHFFFAOYSA-N
XLogP1.63
TPSA80.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methoxyphenyl)methyl]-2,5,6-trimethylbenzimidazol-4-amine
CID 1479156
methyl 1-[(4-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 134360348
7-bromo-1-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-2-one
CID 67993011
5,6-dichloro-1-[(4-methoxyphenyl)methyl]-2-methyl-4-nitrobenzimidazole
CID 121269988
1-[(4-methoxyphenyl)methyl]quinoxalin-2-one
CID 15497841
4-hydroxy-7-methoxy-1-[(4-methoxyphenyl)methyl]-3-methyl-1,5-naphthyridin-2-one
CID 167037612
1-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[2,3-d]pyridazine
CID 19437773
3-[(4-methoxyphenyl)methyl]-1-methyl-2-oxoimidazo[4,5-c]quinoline-7,8-dicarboxylic acid
CID 77107330
3-[(4-methoxyphenyl)methyl]-1-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
CID 155551609
1-[(3,4-dichlorophenyl)methyl]-6-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-2-methylimidazo[4,5-b]pyridine
CID 167224031
1-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-methylimidazole
CID 167320879
6-amino-7-chloro-3-[(4-methoxyphenyl)methyl]-2-methylquinazolin-4-one
CID 43812768

Frequently Asked Questions

What is the IUPAC name of [3-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-c]quinolin-8-yl]boronic acid?
The IUPAC name of [3-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-c]quinolin-8-yl]boronic acid (CID 175991372) is [3-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-c]quinolin-8-yl]boronic acid.
What is the SMILES notation for [3-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-c]quinolin-8-yl]boronic acid?
The canonical SMILES for [3-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-c]quinolin-8-yl]boronic acid is COc1ccc(Cn2c(C)nc3c4cc(B(O)O)ccc4ncc32)cc1.
What is the InChIKey of [3-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-c]quinolin-8-yl]boronic acid?
The InChIKey is YBSLWRTWBMNZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BN3O3/c1-12-22-19-16-9-14(20(24)25)5-8-17(16)21-10-18(19)23(12)11-13-3-6-15(26-2)7-4-13/h3-10,24-25H,11H2,1-2H3.
What are the key properties of [3-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-c]quinolin-8-yl]boronic acid?
[3-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-c]quinolin-8-yl]boronic acid has a molecular weight of 347.18 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methoxyphenyl)methyl]-2-methylimidazo[4,5-c]quinolin-8-yl]boronic acid is sourced from PubChem (CID 175991372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).