1-(2-methylquinolin-4-yl)hexan-3-ol

C16H21NO — CID 79424356

IUPAC1-(2-methylquinolin-4-yl)hexan-3-ol
SMILESCCCC(O)CCc1cc(C)nc2ccccc12
InChIInChI=1S/C16H21NO/c1-3-6-14(18)10-9-13-11-12(2)17-16-8-5-4-7-15(13)16/h4-5,7-8,11,14,18H,3,6,9-10H2,1-2H3
InChIKeyLAVPROXELJOFMB-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.64
Rot. Bonds5

About 1-(2-methylquinolin-4-yl)hexan-3-ol

1-(2-methylquinolin-4-yl)hexan-3-ol (PubChem CID 79424356) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(2-methylquinolin-4-yl)hexan-3-ol.

Molecular Properties

Compound Name1-(2-methylquinolin-4-yl)hexan-3-ol
PubChem CID79424356
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-(2-methylquinolin-4-yl)hexan-3-ol
SMILESCCCC(O)CCc1cc(C)nc2ccccc12
InChIInChI=1S/C16H21NO/c1-3-6-14(18)10-9-13-11-12(2)17-16-8-5-4-7-15(13)16/h4-5,7-8,11,14,18H,3,6,9-10H2,1-2H3
InChIKeyLAVPROXELJOFMB-UHFFFAOYSA-N
XLogP3.64
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylquinolin-4-yl)hexan-3-ol?
The IUPAC name of 1-(2-methylquinolin-4-yl)hexan-3-ol (CID 79424356) is 1-(2-methylquinolin-4-yl)hexan-3-ol.
What is the SMILES notation for 1-(2-methylquinolin-4-yl)hexan-3-ol?
The canonical SMILES for 1-(2-methylquinolin-4-yl)hexan-3-ol is CCCC(O)CCc1cc(C)nc2ccccc12.
What is the InChIKey of 1-(2-methylquinolin-4-yl)hexan-3-ol?
The InChIKey is LAVPROXELJOFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-3-6-14(18)10-9-13-11-12(2)17-16-8-5-4-7-15(13)16/h4-5,7-8,11,14,18H,3,6,9-10H2,1-2H3.
What are the key properties of 1-(2-methylquinolin-4-yl)hexan-3-ol?
1-(2-methylquinolin-4-yl)hexan-3-ol has a molecular weight of 243.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylquinolin-4-yl)hexan-3-ol is sourced from PubChem (CID 79424356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).