2-(7,8-dichloro-2-propan-2-ylquinolin-4-yl)propan-2-ol

C15H17Cl2NO — CID 82449344

IUPAC2-(7,8-dichloro-2-propan-2-ylquinolin-4-yl)propan-2-ol
SMILESCC(C)c1cc(C(C)(C)O)c2ccc(Cl)c(Cl)c2n1
InChIInChI=1S/C15H17Cl2NO/c1-8(2)12-7-10(15(3,4)19)9-5-6-11(16)13(17)14(9)18-12/h5-8,19H,1-4H3
InChIKeyYRSBTGLZIOJWFO-UHFFFAOYSA-N
MW298.21 g/mol
LogP4.89
Rot. Bonds2

About 2-(7,8-dichloro-2-propan-2-ylquinolin-4-yl)propan-2-ol

2-(7,8-dichloro-2-propan-2-ylquinolin-4-yl)propan-2-ol (PubChem CID 82449344) has the molecular formula C15H17Cl2NO and a molecular weight of 298.21 g/mol. Its IUPAC name is 2-(7,8-dichloro-2-propan-2-ylquinolin-4-yl)propan-2-ol.

Molecular Properties

Compound Name2-(7,8-dichloro-2-propan-2-ylquinolin-4-yl)propan-2-ol
PubChem CID82449344
Molecular FormulaC15H17Cl2NO
Molecular Weight298.21 g/mol
Exact Mass297.07
IUPAC Name2-(7,8-dichloro-2-propan-2-ylquinolin-4-yl)propan-2-ol
SMILESCC(C)c1cc(C(C)(C)O)c2ccc(Cl)c(Cl)c2n1
InChIInChI=1S/C15H17Cl2NO/c1-8(2)12-7-10(15(3,4)19)9-5-6-11(16)13(17)14(9)18-12/h5-8,19H,1-4H3
InChIKeyYRSBTGLZIOJWFO-UHFFFAOYSA-N
XLogP4.89
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dichloro-2-propan-2-ylquinolin-4-yl)propan-2-ol?
The IUPAC name of 2-(7,8-dichloro-2-propan-2-ylquinolin-4-yl)propan-2-ol (CID 82449344) is 2-(7,8-dichloro-2-propan-2-ylquinolin-4-yl)propan-2-ol.
What is the SMILES notation for 2-(7,8-dichloro-2-propan-2-ylquinolin-4-yl)propan-2-ol?
The canonical SMILES for 2-(7,8-dichloro-2-propan-2-ylquinolin-4-yl)propan-2-ol is CC(C)c1cc(C(C)(C)O)c2ccc(Cl)c(Cl)c2n1.
What is the InChIKey of 2-(7,8-dichloro-2-propan-2-ylquinolin-4-yl)propan-2-ol?
The InChIKey is YRSBTGLZIOJWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO/c1-8(2)12-7-10(15(3,4)19)9-5-6-11(16)13(17)14(9)18-12/h5-8,19H,1-4H3.
What are the key properties of 2-(7,8-dichloro-2-propan-2-ylquinolin-4-yl)propan-2-ol?
2-(7,8-dichloro-2-propan-2-ylquinolin-4-yl)propan-2-ol has a molecular weight of 298.21 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-dichloro-2-propan-2-ylquinolin-4-yl)propan-2-ol is sourced from PubChem (CID 82449344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).