3-chloro-4-propan-2-ylquinolin-6-ol

C12H12ClNO — CID 105478564

IUPAC3-chloro-4-propan-2-ylquinolin-6-ol
SMILESCC(C)c1c(Cl)cnc2ccc(O)cc12
InChIInChI=1S/C12H12ClNO/c1-7(2)12-9-5-8(15)3-4-11(9)14-6-10(12)13/h3-7,15H,1-2H3
InChIKeyGCXVOLIFMVWXQA-UHFFFAOYSA-N
MW221.69 g/mol
LogP3.72
Rot. Bonds1

About 3-chloro-4-propan-2-ylquinolin-6-ol

3-chloro-4-propan-2-ylquinolin-6-ol (PubChem CID 105478564) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is 3-chloro-4-propan-2-ylquinolin-6-ol.

Molecular Properties

Compound Name3-chloro-4-propan-2-ylquinolin-6-ol
PubChem CID105478564
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name3-chloro-4-propan-2-ylquinolin-6-ol
SMILESCC(C)c1c(Cl)cnc2ccc(O)cc12
InChIInChI=1S/C12H12ClNO/c1-7(2)12-9-5-8(15)3-4-11(9)14-6-10(12)13/h3-7,15H,1-2H3
InChIKeyGCXVOLIFMVWXQA-UHFFFAOYSA-N
XLogP3.72
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-propan-2-ylquinolin-6-ol?
The IUPAC name of 3-chloro-4-propan-2-ylquinolin-6-ol (CID 105478564) is 3-chloro-4-propan-2-ylquinolin-6-ol.
What is the SMILES notation for 3-chloro-4-propan-2-ylquinolin-6-ol?
The canonical SMILES for 3-chloro-4-propan-2-ylquinolin-6-ol is CC(C)c1c(Cl)cnc2ccc(O)cc12.
What is the InChIKey of 3-chloro-4-propan-2-ylquinolin-6-ol?
The InChIKey is GCXVOLIFMVWXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c1-7(2)12-9-5-8(15)3-4-11(9)14-6-10(12)13/h3-7,15H,1-2H3.
What are the key properties of 3-chloro-4-propan-2-ylquinolin-6-ol?
3-chloro-4-propan-2-ylquinolin-6-ol has a molecular weight of 221.69 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-propan-2-ylquinolin-6-ol is sourced from PubChem (CID 105478564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).