2-[7-[2-(3-chlorophenyl)ethyl]quinolin-3-yl]propan-2-ol

C20H20ClNO — CID 150279100

IUPAC2-[7-[2-(3-chlorophenyl)ethyl]quinolin-3-yl]propan-2-ol
SMILESCC(C)(O)c1cnc2cc(CCc3cccc(Cl)c3)ccc2c1
InChIInChI=1S/C20H20ClNO/c1-20(2,23)17-12-16-9-8-15(11-19(16)22-13-17)7-6-14-4-3-5-18(21)10-14/h3-5,8-13,23H,6-7H2,1-2H3
InChIKeyGFEUZAZEHMLNDA-UHFFFAOYSA-N
MW325.84 g/mol
LogP4.90
Rot. Bonds4

About 2-[7-[2-(3-chlorophenyl)ethyl]quinolin-3-yl]propan-2-ol

2-[7-[2-(3-chlorophenyl)ethyl]quinolin-3-yl]propan-2-ol (PubChem CID 150279100) has the molecular formula C20H20ClNO and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-[7-[2-(3-chlorophenyl)ethyl]quinolin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[7-[2-(3-chlorophenyl)ethyl]quinolin-3-yl]propan-2-ol
PubChem CID150279100
Molecular FormulaC20H20ClNO
Molecular Weight325.84 g/mol
Exact Mass325.12
IUPAC Name2-[7-[2-(3-chlorophenyl)ethyl]quinolin-3-yl]propan-2-ol
SMILESCC(C)(O)c1cnc2cc(CCc3cccc(Cl)c3)ccc2c1
InChIInChI=1S/C20H20ClNO/c1-20(2,23)17-12-16-9-8-15(11-19(16)22-13-17)7-6-14-4-3-5-18(21)10-14/h3-5,8-13,23H,6-7H2,1-2H3
InChIKeyGFEUZAZEHMLNDA-UHFFFAOYSA-N
XLogP4.90
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[2-(3-chlorophenyl)ethyl]quinolin-3-yl]propan-2-ol?
The IUPAC name of 2-[7-[2-(3-chlorophenyl)ethyl]quinolin-3-yl]propan-2-ol (CID 150279100) is 2-[7-[2-(3-chlorophenyl)ethyl]quinolin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[7-[2-(3-chlorophenyl)ethyl]quinolin-3-yl]propan-2-ol?
The canonical SMILES for 2-[7-[2-(3-chlorophenyl)ethyl]quinolin-3-yl]propan-2-ol is CC(C)(O)c1cnc2cc(CCc3cccc(Cl)c3)ccc2c1.
What is the InChIKey of 2-[7-[2-(3-chlorophenyl)ethyl]quinolin-3-yl]propan-2-ol?
The InChIKey is GFEUZAZEHMLNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO/c1-20(2,23)17-12-16-9-8-15(11-19(16)22-13-17)7-6-14-4-3-5-18(21)10-14/h3-5,8-13,23H,6-7H2,1-2H3.
What are the key properties of 2-[7-[2-(3-chlorophenyl)ethyl]quinolin-3-yl]propan-2-ol?
2-[7-[2-(3-chlorophenyl)ethyl]quinolin-3-yl]propan-2-ol has a molecular weight of 325.84 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[2-(3-chlorophenyl)ethyl]quinolin-3-yl]propan-2-ol is sourced from PubChem (CID 150279100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).