7-[(3-bromophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol

C20H16BrN3O2 — CID 4583594

IUPAC7-[(3-bromophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol
SMILESCc1cc(NC(c2cccc(Br)c2)c2ccc3cccnc3c2O)no1
InChIInChI=1S/C20H16BrN3O2/c1-12-10-17(24-26-12)23-18(14-4-2-6-15(21)11-14)16-8-7-13-5-3-9-22-19(13)20(16)25/h2-11,18,25H,1H3,(H,23,24)
InChIKeyBECYYTNLACTYRC-UHFFFAOYSA-N
MW410.27 g/mol
LogP5.20
Rot. Bonds4

About 7-[(3-bromophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol

7-[(3-bromophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol (PubChem CID 4583594) has the molecular formula C20H16BrN3O2 and a molecular weight of 410.27 g/mol. Its IUPAC name is 7-[(3-bromophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(3-bromophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol
PubChem CID4583594
Molecular FormulaC20H16BrN3O2
Molecular Weight410.27 g/mol
Exact Mass409.04
IUPAC Name7-[(3-bromophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol
SMILESCc1cc(NC(c2cccc(Br)c2)c2ccc3cccnc3c2O)no1
InChIInChI=1S/C20H16BrN3O2/c1-12-10-17(24-26-12)23-18(14-4-2-6-15(21)11-14)16-8-7-13-5-3-9-22-19(13)20(16)25/h2-11,18,25H,1H3,(H,23,24)
InChIKeyBECYYTNLACTYRC-UHFFFAOYSA-N
XLogP5.20
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.27
LogP ≤ 55.20
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-[(3-bromophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol?
The IUPAC name of 7-[(3-bromophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol (CID 4583594) is 7-[(3-bromophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(3-bromophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol?
The canonical SMILES for 7-[(3-bromophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol is Cc1cc(NC(c2cccc(Br)c2)c2ccc3cccnc3c2O)no1.
What is the InChIKey of 7-[(3-bromophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol?
The InChIKey is BECYYTNLACTYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O2/c1-12-10-17(24-26-12)23-18(14-4-2-6-15(21)11-14)16-8-7-13-5-3-9-22-19(13)20(16)25/h2-11,18,25H,1H3,(H,23,24).
What are the key properties of 7-[(3-bromophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol?
7-[(3-bromophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol has a molecular weight of 410.27 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-bromophenyl)-[(5-methyl-1,2-oxazol-3-yl)amino]methyl]quinolin-8-ol is sourced from PubChem (CID 4583594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).