5-amino-3-methyl-4-[4-(sulfinoamino)anilino]quinoline

C16H16N4O2S — CID 118371985

IUPAC5-amino-3-methyl-4-[4-(sulfinoamino)anilino]quinoline
SMILESCc1cnc2cccc(N)c2c1Nc1ccc(NS(=O)O)cc1
InChIInChI=1S/C16H16N4O2S/c1-10-9-18-14-4-2-3-13(17)15(14)16(10)19-11-5-7-12(8-6-11)20-23(21)22/h2-9,20H,17H2,1H3,(H,18,19)(H,21,22)
InChIKeyHAXDUIJGSKHPCA-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.42
Rot. Bonds4

About 5-amino-3-methyl-4-[4-(sulfinoamino)anilino]quinoline

5-amino-3-methyl-4-[4-(sulfinoamino)anilino]quinoline (PubChem CID 118371985) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 5-amino-3-methyl-4-[4-(sulfinoamino)anilino]quinoline.

Molecular Properties

Compound Name5-amino-3-methyl-4-[4-(sulfinoamino)anilino]quinoline
PubChem CID118371985
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name5-amino-3-methyl-4-[4-(sulfinoamino)anilino]quinoline
SMILESCc1cnc2cccc(N)c2c1Nc1ccc(NS(=O)O)cc1
InChIInChI=1S/C16H16N4O2S/c1-10-9-18-14-4-2-3-13(17)15(14)16(10)19-11-5-7-12(8-6-11)20-23(21)22/h2-9,20H,17H2,1H3,(H,18,19)(H,21,22)
InChIKeyHAXDUIJGSKHPCA-UHFFFAOYSA-N
XLogP3.42
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-4-[4-(sulfinoamino)anilino]quinoline?
The IUPAC name of 5-amino-3-methyl-4-[4-(sulfinoamino)anilino]quinoline (CID 118371985) is 5-amino-3-methyl-4-[4-(sulfinoamino)anilino]quinoline.
What is the SMILES notation for 5-amino-3-methyl-4-[4-(sulfinoamino)anilino]quinoline?
The canonical SMILES for 5-amino-3-methyl-4-[4-(sulfinoamino)anilino]quinoline is Cc1cnc2cccc(N)c2c1Nc1ccc(NS(=O)O)cc1.
What is the InChIKey of 5-amino-3-methyl-4-[4-(sulfinoamino)anilino]quinoline?
The InChIKey is HAXDUIJGSKHPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-10-9-18-14-4-2-3-13(17)15(14)16(10)19-11-5-7-12(8-6-11)20-23(21)22/h2-9,20H,17H2,1H3,(H,18,19)(H,21,22).
What are the key properties of 5-amino-3-methyl-4-[4-(sulfinoamino)anilino]quinoline?
5-amino-3-methyl-4-[4-(sulfinoamino)anilino]quinoline has a molecular weight of 328.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-4-[4-(sulfinoamino)anilino]quinoline is sourced from PubChem (CID 118371985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).