[2-(3,3,4-trimethylpiperazin-1-yl)quinolin-4-yl]methanol

C17H23N3O — CID 63634497

IUPAC[2-(3,3,4-trimethylpiperazin-1-yl)quinolin-4-yl]methanol
SMILESCN1CCN(c2cc(CO)c3ccccc3n2)CC1(C)C
InChIInChI=1S/C17H23N3O/c1-17(2)12-20(9-8-19(17)3)16-10-13(11-21)14-6-4-5-7-15(14)18-16/h4-7,10,21H,8-9,11-12H2,1-3H3
InChIKeyXHBOKXHIHNMIAA-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.26
Rot. Bonds2

About [2-(3,3,4-trimethylpiperazin-1-yl)quinolin-4-yl]methanol

[2-(3,3,4-trimethylpiperazin-1-yl)quinolin-4-yl]methanol (PubChem CID 63634497) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [2-(3,3,4-trimethylpiperazin-1-yl)quinolin-4-yl]methanol.

Molecular Properties

Compound Name[2-(3,3,4-trimethylpiperazin-1-yl)quinolin-4-yl]methanol
PubChem CID63634497
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[2-(3,3,4-trimethylpiperazin-1-yl)quinolin-4-yl]methanol
SMILESCN1CCN(c2cc(CO)c3ccccc3n2)CC1(C)C
InChIInChI=1S/C17H23N3O/c1-17(2)12-20(9-8-19(17)3)16-10-13(11-21)14-6-4-5-7-15(14)18-16/h4-7,10,21H,8-9,11-12H2,1-3H3
InChIKeyXHBOKXHIHNMIAA-UHFFFAOYSA-N
XLogP2.26
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4,4-dimethylazepan-1-yl)quinolin-4-yl]methanol
CID 65282785
[2-[4-(dimethylamino)piperidin-1-yl]quinolin-4-yl]methanol
CID 61256254
[2-(1,4-oxazepan-4-yl)quinolin-4-yl]methanol
CID 62973118
[1-[4-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]methanol
CID 61252810
4-(chloromethyl)-2-(4-methylpiperazin-1-yl)quinoline
CID 61256156
[2-(2-methylpiperidin-1-yl)quinolin-4-yl]methanol
CID 61253176
[2-(2,4-dimethylpiperidin-1-yl)quinolin-4-yl]methanol
CID 62330017
N-methyl-1-(2-pyrrolidin-1-ylquinolin-4-yl)methanamine
CID 62286601
(E)-but-2-enedioic acid;2-(3,3,4,5,5-pentamethyl-1,4-diazepan-1-yl)quinoline
CID 67096236
[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)quinolin-4-yl]methanol
CID 65320137
[2-(4-bromopyrazol-1-yl)quinolin-4-yl]methanol
CID 61255216
[7-chloro-4-[4-(3,3,4-trimethylpiperazin-1-yl)anilino]quinolin-3-yl]methanol
CID 10251036

Frequently Asked Questions

What is the IUPAC name of [2-(3,3,4-trimethylpiperazin-1-yl)quinolin-4-yl]methanol?
The IUPAC name of [2-(3,3,4-trimethylpiperazin-1-yl)quinolin-4-yl]methanol (CID 63634497) is [2-(3,3,4-trimethylpiperazin-1-yl)quinolin-4-yl]methanol.
What is the SMILES notation for [2-(3,3,4-trimethylpiperazin-1-yl)quinolin-4-yl]methanol?
The canonical SMILES for [2-(3,3,4-trimethylpiperazin-1-yl)quinolin-4-yl]methanol is CN1CCN(c2cc(CO)c3ccccc3n2)CC1(C)C.
What is the InChIKey of [2-(3,3,4-trimethylpiperazin-1-yl)quinolin-4-yl]methanol?
The InChIKey is XHBOKXHIHNMIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-17(2)12-20(9-8-19(17)3)16-10-13(11-21)14-6-4-5-7-15(14)18-16/h4-7,10,21H,8-9,11-12H2,1-3H3.
What are the key properties of [2-(3,3,4-trimethylpiperazin-1-yl)quinolin-4-yl]methanol?
[2-(3,3,4-trimethylpiperazin-1-yl)quinolin-4-yl]methanol has a molecular weight of 285.39 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3,4-trimethylpiperazin-1-yl)quinolin-4-yl]methanol is sourced from PubChem (CID 63634497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).