7-[amino-(1,3-benzothiazol-2-yl)-phenylmethyl]quinolin-8-ol

C23H17N3OS — CID 69052354

IUPAC7-[amino-(1,3-benzothiazol-2-yl)-phenylmethyl]quinolin-8-ol
SMILESNC(c1ccccc1)(c1nc2ccccc2s1)c1ccc2cccnc2c1O
InChIInChI=1S/C23H17N3OS/c24-23(16-8-2-1-3-9-16,22-26-18-10-4-5-11-19(18)28-22)17-13-12-15-7-6-14-25-20(15)21(17)27/h1-14,27H,24H2
InChIKeyWIHRCQLLDFYJLO-UHFFFAOYSA-N
MW383.48 g/mol
LogP4.80
Rot. Bonds3

About 7-[amino-(1,3-benzothiazol-2-yl)-phenylmethyl]quinolin-8-ol

7-[amino-(1,3-benzothiazol-2-yl)-phenylmethyl]quinolin-8-ol (PubChem CID 69052354) has the molecular formula C23H17N3OS and a molecular weight of 383.48 g/mol. Its IUPAC name is 7-[amino-(1,3-benzothiazol-2-yl)-phenylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[amino-(1,3-benzothiazol-2-yl)-phenylmethyl]quinolin-8-ol
PubChem CID69052354
Molecular FormulaC23H17N3OS
Molecular Weight383.48 g/mol
Exact Mass383.11
IUPAC Name7-[amino-(1,3-benzothiazol-2-yl)-phenylmethyl]quinolin-8-ol
SMILESNC(c1ccccc1)(c1nc2ccccc2s1)c1ccc2cccnc2c1O
InChIInChI=1S/C23H17N3OS/c24-23(16-8-2-1-3-9-16,22-26-18-10-4-5-11-19(18)28-22)17-13-12-15-7-6-14-25-20(15)21(17)27/h1-14,27H,24H2
InChIKeyWIHRCQLLDFYJLO-UHFFFAOYSA-N
XLogP4.80
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[amino-(1,3-benzothiazol-2-yl)-phenylmethyl]quinolin-8-ol?
The IUPAC name of 7-[amino-(1,3-benzothiazol-2-yl)-phenylmethyl]quinolin-8-ol (CID 69052354) is 7-[amino-(1,3-benzothiazol-2-yl)-phenylmethyl]quinolin-8-ol.
What is the SMILES notation for 7-[amino-(1,3-benzothiazol-2-yl)-phenylmethyl]quinolin-8-ol?
The canonical SMILES for 7-[amino-(1,3-benzothiazol-2-yl)-phenylmethyl]quinolin-8-ol is NC(c1ccccc1)(c1nc2ccccc2s1)c1ccc2cccnc2c1O.
What is the InChIKey of 7-[amino-(1,3-benzothiazol-2-yl)-phenylmethyl]quinolin-8-ol?
The InChIKey is WIHRCQLLDFYJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3OS/c24-23(16-8-2-1-3-9-16,22-26-18-10-4-5-11-19(18)28-22)17-13-12-15-7-6-14-25-20(15)21(17)27/h1-14,27H,24H2.
What are the key properties of 7-[amino-(1,3-benzothiazol-2-yl)-phenylmethyl]quinolin-8-ol?
7-[amino-(1,3-benzothiazol-2-yl)-phenylmethyl]quinolin-8-ol has a molecular weight of 383.48 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[amino-(1,3-benzothiazol-2-yl)-phenylmethyl]quinolin-8-ol is sourced from PubChem (CID 69052354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).