1-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyimidazo[4,5-c]quinoline

C19H18N4O2S — CID 165035279

IUPAC1-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyimidazo[4,5-c]quinoline
SMILESC=S(N)(=O)c1ccc(Cn2cnc3cnc4cc(OC)ccc4c32)cc1
InChIInChI=1S/C19H18N4O2S/c1-25-14-5-8-16-17(9-14)21-10-18-19(16)23(12-22-18)11-13-3-6-15(7-4-13)26(2,20)24/h3-10,12H,2,11H2,1H3,(H2,20,24)
InChIKeyHGZKEMHRPRWNPC-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.59
Rot. Bonds4

About 1-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyimidazo[4,5-c]quinoline

1-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyimidazo[4,5-c]quinoline (PubChem CID 165035279) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 1-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyimidazo[4,5-c]quinoline.

Molecular Properties

Compound Name1-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyimidazo[4,5-c]quinoline
PubChem CID165035279
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name1-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyimidazo[4,5-c]quinoline
SMILESC=S(N)(=O)c1ccc(Cn2cnc3cnc4cc(OC)ccc4c32)cc1
InChIInChI=1S/C19H18N4O2S/c1-25-14-5-8-16-17(9-14)21-10-18-19(16)23(12-22-18)11-13-3-6-15(7-4-13)26(2,20)24/h3-10,12H,2,11H2,1H3,(H2,20,24)
InChIKeyHGZKEMHRPRWNPC-UHFFFAOYSA-N
XLogP2.59
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyimidazo[4,5-c]quinoline?
The IUPAC name of 1-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyimidazo[4,5-c]quinoline (CID 165035279) is 1-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyimidazo[4,5-c]quinoline.
What is the SMILES notation for 1-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyimidazo[4,5-c]quinoline?
The canonical SMILES for 1-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyimidazo[4,5-c]quinoline is C=S(N)(=O)c1ccc(Cn2cnc3cnc4cc(OC)ccc4c32)cc1.
What is the InChIKey of 1-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyimidazo[4,5-c]quinoline?
The InChIKey is HGZKEMHRPRWNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-25-14-5-8-16-17(9-14)21-10-18-19(16)23(12-22-18)11-13-3-6-15(7-4-13)26(2,20)24/h3-10,12H,2,11H2,1H3,(H2,20,24).
What are the key properties of 1-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyimidazo[4,5-c]quinoline?
1-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyimidazo[4,5-c]quinoline has a molecular weight of 366.45 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyimidazo[4,5-c]quinoline is sourced from PubChem (CID 165035279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).