4-(diethylamino)-1-quinolin-4-ylbutan-2-ol

C17H24N2O — CID 79087937

IUPAC4-(diethylamino)-1-quinolin-4-ylbutan-2-ol
SMILESCCN(CC)CCC(O)Cc1ccnc2ccccc12
InChIInChI=1S/C17H24N2O/c1-3-19(4-2)12-10-15(20)13-14-9-11-18-17-8-6-5-7-16(14)17/h5-9,11,15,20H,3-4,10,12-13H2,1-2H3
InChIKeyKNDJVBVKLOWRDJ-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.87
Rot. Bonds7

About 4-(diethylamino)-1-quinolin-4-ylbutan-2-ol

4-(diethylamino)-1-quinolin-4-ylbutan-2-ol (PubChem CID 79087937) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-(diethylamino)-1-quinolin-4-ylbutan-2-ol.

Molecular Properties

Compound Name4-(diethylamino)-1-quinolin-4-ylbutan-2-ol
PubChem CID79087937
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-(diethylamino)-1-quinolin-4-ylbutan-2-ol
SMILESCCN(CC)CCC(O)Cc1ccnc2ccccc12
InChIInChI=1S/C17H24N2O/c1-3-19(4-2)12-10-15(20)13-14-9-11-18-17-8-6-5-7-16(14)17/h5-9,11,15,20H,3-4,10,12-13H2,1-2H3
InChIKeyKNDJVBVKLOWRDJ-UHFFFAOYSA-N
XLogP2.87
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-1-quinolin-4-ylbutan-2-ol?
The IUPAC name of 4-(diethylamino)-1-quinolin-4-ylbutan-2-ol (CID 79087937) is 4-(diethylamino)-1-quinolin-4-ylbutan-2-ol.
What is the SMILES notation for 4-(diethylamino)-1-quinolin-4-ylbutan-2-ol?
The canonical SMILES for 4-(diethylamino)-1-quinolin-4-ylbutan-2-ol is CCN(CC)CCC(O)Cc1ccnc2ccccc12.
What is the InChIKey of 4-(diethylamino)-1-quinolin-4-ylbutan-2-ol?
The InChIKey is KNDJVBVKLOWRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-19(4-2)12-10-15(20)13-14-9-11-18-17-8-6-5-7-16(14)17/h5-9,11,15,20H,3-4,10,12-13H2,1-2H3.
What are the key properties of 4-(diethylamino)-1-quinolin-4-ylbutan-2-ol?
4-(diethylamino)-1-quinolin-4-ylbutan-2-ol has a molecular weight of 272.39 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-1-quinolin-4-ylbutan-2-ol is sourced from PubChem (CID 79087937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).