[4-(7,8-dimethoxy-1-methylimidazo[4,5-c]quinolin-2-yl)phenyl]phosphonic acid

C19H18N3O5P — CID 163399453

IUPAC[4-(7,8-dimethoxy-1-methylimidazo[4,5-c]quinolin-2-yl)phenyl]phosphonic acid
SMILESCOc1cc2ncc3nc(-c4ccc(P(=O)(O)O)cc4)n(C)c3c2cc1OC
InChIInChI=1S/C19H18N3O5P/c1-22-18-13-8-16(26-2)17(27-3)9-14(13)20-10-15(18)21-19(22)11-4-6-12(7-5-11)28(23,24)25/h4-10H,1-3H3,(H2,23,24,25)
InChIKeySSGIZMDGMDZCOA-UHFFFAOYSA-N
MW399.34 g/mol
LogP2.61
Rot. Bonds4

About [4-(7,8-dimethoxy-1-methylimidazo[4,5-c]quinolin-2-yl)phenyl]phosphonic acid

[4-(7,8-dimethoxy-1-methylimidazo[4,5-c]quinolin-2-yl)phenyl]phosphonic acid (PubChem CID 163399453) has the molecular formula C19H18N3O5P and a molecular weight of 399.34 g/mol. Its IUPAC name is [4-(7,8-dimethoxy-1-methylimidazo[4,5-c]quinolin-2-yl)phenyl]phosphonic acid.

Molecular Properties

Compound Name[4-(7,8-dimethoxy-1-methylimidazo[4,5-c]quinolin-2-yl)phenyl]phosphonic acid
PubChem CID163399453
Molecular FormulaC19H18N3O5P
Molecular Weight399.34 g/mol
Exact Mass399.10
IUPAC Name[4-(7,8-dimethoxy-1-methylimidazo[4,5-c]quinolin-2-yl)phenyl]phosphonic acid
SMILESCOc1cc2ncc3nc(-c4ccc(P(=O)(O)O)cc4)n(C)c3c2cc1OC
InChIInChI=1S/C19H18N3O5P/c1-22-18-13-8-16(26-2)17(27-3)9-14(13)20-10-15(18)21-19(22)11-4-6-12(7-5-11)28(23,24)25/h4-10H,1-3H3,(H2,23,24,25)
InChIKeySSGIZMDGMDZCOA-UHFFFAOYSA-N
XLogP2.61
TPSA106.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7,8-dimethoxy-1-methyl-2-(4-nitrophenyl)imidazo[4,5-c]quinoline
CID 139490492
[4-[(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]phosphonic acid
CID 163399444
[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)phenyl]methylcarbamic acid
CID 139490700
[4-(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)anilino] 2,2,2-trifluoroacetate
CID 139490392
6,7-dimethoxy-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 18073657
3-(4-fluorophenyl)-7,8-dimethoxy-1-(4-methylphenyl)pyrazolo[4,5-c]quinoline
CID 20852644
6,7-dimethoxy-3-phenylquinoline-4-carboxylic acid
CID 18788641
3-[(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]azetidine-1-sulfonamide
CID 164820138
2-[2-(3,4-dimethoxyphenyl)-1-methylbenzimidazol-5-yl]acetic acid
CID 82142041
ethyl 4-(6,7-dimethoxyquinolin-3-yl)benzoate
CID 10042684
3-butyl-2-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-one
CID 45029222
2-(6,7-dimethoxy-2-methylquinolin-4-yl)oxyacetic acid
CID 53264216

Frequently Asked Questions

What is the IUPAC name of [4-(7,8-dimethoxy-1-methylimidazo[4,5-c]quinolin-2-yl)phenyl]phosphonic acid?
The IUPAC name of [4-(7,8-dimethoxy-1-methylimidazo[4,5-c]quinolin-2-yl)phenyl]phosphonic acid (CID 163399453) is [4-(7,8-dimethoxy-1-methylimidazo[4,5-c]quinolin-2-yl)phenyl]phosphonic acid.
What is the SMILES notation for [4-(7,8-dimethoxy-1-methylimidazo[4,5-c]quinolin-2-yl)phenyl]phosphonic acid?
The canonical SMILES for [4-(7,8-dimethoxy-1-methylimidazo[4,5-c]quinolin-2-yl)phenyl]phosphonic acid is COc1cc2ncc3nc(-c4ccc(P(=O)(O)O)cc4)n(C)c3c2cc1OC.
What is the InChIKey of [4-(7,8-dimethoxy-1-methylimidazo[4,5-c]quinolin-2-yl)phenyl]phosphonic acid?
The InChIKey is SSGIZMDGMDZCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N3O5P/c1-22-18-13-8-16(26-2)17(27-3)9-14(13)20-10-15(18)21-19(22)11-4-6-12(7-5-11)28(23,24)25/h4-10H,1-3H3,(H2,23,24,25).
What are the key properties of [4-(7,8-dimethoxy-1-methylimidazo[4,5-c]quinolin-2-yl)phenyl]phosphonic acid?
[4-(7,8-dimethoxy-1-methylimidazo[4,5-c]quinolin-2-yl)phenyl]phosphonic acid has a molecular weight of 399.34 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7,8-dimethoxy-1-methylimidazo[4,5-c]quinolin-2-yl)phenyl]phosphonic acid is sourced from PubChem (CID 163399453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).