[2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]quinolin-3-yl]methanol

C20H23N5O — CID 166208321

IUPAC[2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]quinolin-3-yl]methanol
SMILESCc1cc(C)nc(N2CCN(c3nc4ccccc4cc3CO)CC2)n1
InChIInChI=1S/C20H23N5O/c1-14-11-15(2)22-20(21-14)25-9-7-24(8-10-25)19-17(13-26)12-16-5-3-4-6-18(16)23-19/h3-6,11-12,26H,7-10,13H2,1-2H3
InChIKeyNSGHVXAIJUYYCS-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.46
Rot. Bonds3

About [2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]quinolin-3-yl]methanol

[2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]quinolin-3-yl]methanol (PubChem CID 166208321) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is [2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]quinolin-3-yl]methanol.

Molecular Properties

Compound Name[2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]quinolin-3-yl]methanol
PubChem CID166208321
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name[2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]quinolin-3-yl]methanol
SMILESCc1cc(C)nc(N2CCN(c3nc4ccccc4cc3CO)CC2)n1
InChIInChI=1S/C20H23N5O/c1-14-11-15(2)22-20(21-14)25-9-7-24(8-10-25)19-17(13-26)12-16-5-3-4-6-18(16)23-19/h3-6,11-12,26H,7-10,13H2,1-2H3
InChIKeyNSGHVXAIJUYYCS-UHFFFAOYSA-N
XLogP2.46
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-ethylpiperidin-1-yl)quinolin-3-yl]methanol
CID 61421257
(3R,4R)-4-(hydroxymethyl)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-ol
CID 56884115
[2-(3,5-dimethyl-1,2,4-triazol-1-yl)quinolin-3-yl]methanol
CID 61347881
[2-[2-(2-methylphenyl)morpholin-4-yl]quinolin-3-yl]methanol
CID 133354127
1-[4-[3-(aminomethyl)quinolin-2-yl]piperazin-1-yl]ethanone
CID 28965186
[2-[(3S)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol
CID 97438095
[2-[4-(3,5-dimethoxyanilino)piperidin-1-yl]quinolin-3-yl]methanol
CID 133337541
ethyl 1-[3-(hydroxymethyl)quinolin-2-yl]piperidine-3-carboxylate
CID 91662062
[2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]quinolin-3-yl]methanol
CID 133475185
2-[(2S)-1-benzyl-4-[3-(hydroxymethyl)quinolin-2-yl]piperazin-2-yl]ethanol
CID 95882617
[2-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]quinolin-3-yl]methanol
CID 56704240
2-(azocan-1-yl)-3-(bromomethyl)quinoline
CID 107079697

Frequently Asked Questions

What is the IUPAC name of [2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]quinolin-3-yl]methanol?
The IUPAC name of [2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]quinolin-3-yl]methanol (CID 166208321) is [2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]quinolin-3-yl]methanol.
What is the SMILES notation for [2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]quinolin-3-yl]methanol?
The canonical SMILES for [2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]quinolin-3-yl]methanol is Cc1cc(C)nc(N2CCN(c3nc4ccccc4cc3CO)CC2)n1.
What is the InChIKey of [2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]quinolin-3-yl]methanol?
The InChIKey is NSGHVXAIJUYYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-11-15(2)22-20(21-14)25-9-7-24(8-10-25)19-17(13-26)12-16-5-3-4-6-18(16)23-19/h3-6,11-12,26H,7-10,13H2,1-2H3.
What are the key properties of [2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]quinolin-3-yl]methanol?
[2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]quinolin-3-yl]methanol has a molecular weight of 349.44 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]quinolin-3-yl]methanol is sourced from PubChem (CID 166208321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).