3-[(8-bromoquinolin-2-yl)amino]-3-thiophen-2-ylpropan-1-ol

C16H15BrN2OS — CID 133370432

IUPAC3-[(8-bromoquinolin-2-yl)amino]-3-thiophen-2-ylpropan-1-ol
SMILESOCCC(Nc1ccc2cccc(Br)c2n1)c1cccs1
InChIInChI=1S/C16H15BrN2OS/c17-12-4-1-3-11-6-7-15(19-16(11)12)18-13(8-9-20)14-5-2-10-21-14/h1-7,10,13,20H,8-9H2,(H,18,19)
InChIKeyMWPVMWIDLMGVHC-UHFFFAOYSA-N
MW363.28 g/mol
LogP4.59
Rot. Bonds5

About 3-[(8-bromoquinolin-2-yl)amino]-3-thiophen-2-ylpropan-1-ol

3-[(8-bromoquinolin-2-yl)amino]-3-thiophen-2-ylpropan-1-ol (PubChem CID 133370432) has the molecular formula C16H15BrN2OS and a molecular weight of 363.28 g/mol. Its IUPAC name is 3-[(8-bromoquinolin-2-yl)amino]-3-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-[(8-bromoquinolin-2-yl)amino]-3-thiophen-2-ylpropan-1-ol
PubChem CID133370432
Molecular FormulaC16H15BrN2OS
Molecular Weight363.28 g/mol
Exact Mass362.01
IUPAC Name3-[(8-bromoquinolin-2-yl)amino]-3-thiophen-2-ylpropan-1-ol
SMILESOCCC(Nc1ccc2cccc(Br)c2n1)c1cccs1
InChIInChI=1S/C16H15BrN2OS/c17-12-4-1-3-11-6-7-15(19-16(11)12)18-13(8-9-20)14-5-2-10-21-14/h1-7,10,13,20H,8-9H2,(H,18,19)
InChIKeyMWPVMWIDLMGVHC-UHFFFAOYSA-N
XLogP4.59
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(8-bromoquinolin-2-yl)amino]-3-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-[(8-bromoquinolin-2-yl)amino]-3-thiophen-2-ylpropan-1-ol (CID 133370432) is 3-[(8-bromoquinolin-2-yl)amino]-3-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-[(8-bromoquinolin-2-yl)amino]-3-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-[(8-bromoquinolin-2-yl)amino]-3-thiophen-2-ylpropan-1-ol is OCCC(Nc1ccc2cccc(Br)c2n1)c1cccs1.
What is the InChIKey of 3-[(8-bromoquinolin-2-yl)amino]-3-thiophen-2-ylpropan-1-ol?
The InChIKey is MWPVMWIDLMGVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2OS/c17-12-4-1-3-11-6-7-15(19-16(11)12)18-13(8-9-20)14-5-2-10-21-14/h1-7,10,13,20H,8-9H2,(H,18,19).
What are the key properties of 3-[(8-bromoquinolin-2-yl)amino]-3-thiophen-2-ylpropan-1-ol?
3-[(8-bromoquinolin-2-yl)amino]-3-thiophen-2-ylpropan-1-ol has a molecular weight of 363.28 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-bromoquinolin-2-yl)amino]-3-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 133370432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).