3-(quinolin-4-ylmethyl)hexan-3-ol

C16H21NO — CID 114079980

IUPAC3-(quinolin-4-ylmethyl)hexan-3-ol
SMILESCCCC(O)(CC)Cc1ccnc2ccccc12
InChIInChI=1S/C16H21NO/c1-3-10-16(18,4-2)12-13-9-11-17-15-8-6-5-7-14(13)15/h5-9,11,18H,3-4,10,12H2,1-2H3
InChIKeyANOOTDXWZXUYOM-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.72
Rot. Bonds5

About 3-(quinolin-4-ylmethyl)hexan-3-ol

3-(quinolin-4-ylmethyl)hexan-3-ol (PubChem CID 114079980) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-(quinolin-4-ylmethyl)hexan-3-ol.

Molecular Properties

Compound Name3-(quinolin-4-ylmethyl)hexan-3-ol
PubChem CID114079980
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name3-(quinolin-4-ylmethyl)hexan-3-ol
SMILESCCCC(O)(CC)Cc1ccnc2ccccc12
InChIInChI=1S/C16H21NO/c1-3-10-16(18,4-2)12-13-9-11-17-15-8-6-5-7-14(13)15/h5-9,11,18H,3-4,10,12H2,1-2H3
InChIKeyANOOTDXWZXUYOM-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-4-ylmethyl)hexan-3-ol?
The IUPAC name of 3-(quinolin-4-ylmethyl)hexan-3-ol (CID 114079980) is 3-(quinolin-4-ylmethyl)hexan-3-ol.
What is the SMILES notation for 3-(quinolin-4-ylmethyl)hexan-3-ol?
The canonical SMILES for 3-(quinolin-4-ylmethyl)hexan-3-ol is CCCC(O)(CC)Cc1ccnc2ccccc12.
What is the InChIKey of 3-(quinolin-4-ylmethyl)hexan-3-ol?
The InChIKey is ANOOTDXWZXUYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-3-10-16(18,4-2)12-13-9-11-17-15-8-6-5-7-14(13)15/h5-9,11,18H,3-4,10,12H2,1-2H3.
What are the key properties of 3-(quinolin-4-ylmethyl)hexan-3-ol?
3-(quinolin-4-ylmethyl)hexan-3-ol has a molecular weight of 243.35 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-4-ylmethyl)hexan-3-ol is sourced from PubChem (CID 114079980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).