7-[(3-hydroxyphenyl)-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol

C19H15N3O2S — CID 3570131

IUPAC7-[(3-hydroxyphenyl)-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol
SMILESOc1cccc(C(Nc2nccs2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C19H15N3O2S/c23-14-5-1-3-13(11-14)16(22-19-21-9-10-25-19)15-7-6-12-4-2-8-20-17(12)18(15)24/h1-11,16,23-24H,(H,21,22)
InChIKeyUUVFMWBOSPFVIZ-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.30
Rot. Bonds4

About 7-[(3-hydroxyphenyl)-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol

7-[(3-hydroxyphenyl)-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol (PubChem CID 3570131) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 7-[(3-hydroxyphenyl)-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(3-hydroxyphenyl)-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol
PubChem CID3570131
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name7-[(3-hydroxyphenyl)-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol
SMILESOc1cccc(C(Nc2nccs2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C19H15N3O2S/c23-14-5-1-3-13(11-14)16(22-19-21-9-10-25-19)15-7-6-12-4-2-8-20-17(12)18(15)24/h1-11,16,23-24H,(H,21,22)
InChIKeyUUVFMWBOSPFVIZ-UHFFFAOYSA-N
XLogP4.30
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-hydroxyphenyl)-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol?
The IUPAC name of 7-[(3-hydroxyphenyl)-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol (CID 3570131) is 7-[(3-hydroxyphenyl)-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(3-hydroxyphenyl)-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(3-hydroxyphenyl)-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol is Oc1cccc(C(Nc2nccs2)c2ccc3cccnc3c2O)c1.
What is the InChIKey of 7-[(3-hydroxyphenyl)-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol?
The InChIKey is UUVFMWBOSPFVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c23-14-5-1-3-13(11-14)16(22-19-21-9-10-25-19)15-7-6-12-4-2-8-20-17(12)18(15)24/h1-11,16,23-24H,(H,21,22).
What are the key properties of 7-[(3-hydroxyphenyl)-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol?
7-[(3-hydroxyphenyl)-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol has a molecular weight of 349.42 g/mol, XLogP of 4.30, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-hydroxyphenyl)-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 3570131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).