3-quinolin-4-ylheptan-3-ol

C16H21NO — CID 174586649

IUPAC3-quinolin-4-ylheptan-3-ol
SMILESCCCCC(O)(CC)c1ccnc2ccccc12
InChIInChI=1S/C16H21NO/c1-3-5-11-16(18,4-2)14-10-12-17-15-9-7-6-8-13(14)15/h6-10,12,18H,3-5,11H2,1-2H3
InChIKeyIYIZYQFJUMFENC-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.02
Rot. Bonds5

About 3-quinolin-4-ylheptan-3-ol

3-quinolin-4-ylheptan-3-ol (PubChem CID 174586649) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-quinolin-4-ylheptan-3-ol.

Molecular Properties

Compound Name3-quinolin-4-ylheptan-3-ol
PubChem CID174586649
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name3-quinolin-4-ylheptan-3-ol
SMILESCCCCC(O)(CC)c1ccnc2ccccc12
InChIInChI=1S/C16H21NO/c1-3-5-11-16(18,4-2)14-10-12-17-15-9-7-6-8-13(14)15/h6-10,12,18H,3-5,11H2,1-2H3
InChIKeyIYIZYQFJUMFENC-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-quinolin-4-ylheptan-3-ol?
The IUPAC name of 3-quinolin-4-ylheptan-3-ol (CID 174586649) is 3-quinolin-4-ylheptan-3-ol.
What is the SMILES notation for 3-quinolin-4-ylheptan-3-ol?
The canonical SMILES for 3-quinolin-4-ylheptan-3-ol is CCCCC(O)(CC)c1ccnc2ccccc12.
What is the InChIKey of 3-quinolin-4-ylheptan-3-ol?
The InChIKey is IYIZYQFJUMFENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-3-5-11-16(18,4-2)14-10-12-17-15-9-7-6-8-13(14)15/h6-10,12,18H,3-5,11H2,1-2H3.
What are the key properties of 3-quinolin-4-ylheptan-3-ol?
3-quinolin-4-ylheptan-3-ol has a molecular weight of 243.35 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-4-ylheptan-3-ol is sourced from PubChem (CID 174586649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).