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

C18H24N2O — CID 65282785

IUPAC[2-(4,4-dimethylazepan-1-yl)quinolin-4-yl]methanol
SMILESCC1(C)CCCN(c2cc(CO)c3ccccc3n2)CC1
InChIInChI=1S/C18H24N2O/c1-18(2)8-5-10-20(11-9-18)17-12-14(13-21)15-6-3-4-7-16(15)19-17/h3-4,6-7,12,21H,5,8-11,13H2,1-2H3
InChIKeyQCUSACZTUSCFIH-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.74
Rot. Bonds2

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

[2-(4,4-dimethylazepan-1-yl)quinolin-4-yl]methanol (PubChem CID 65282785) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is [2-(4,4-dimethylazepan-1-yl)quinolin-4-yl]methanol.

Molecular Properties

Compound Name[2-(4,4-dimethylazepan-1-yl)quinolin-4-yl]methanol
PubChem CID65282785
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name[2-(4,4-dimethylazepan-1-yl)quinolin-4-yl]methanol
SMILESCC1(C)CCCN(c2cc(CO)c3ccccc3n2)CC1
InChIInChI=1S/C18H24N2O/c1-18(2)8-5-10-20(11-9-18)17-12-14(13-21)15-6-3-4-7-16(15)19-17/h3-4,6-7,12,21H,5,8-11,13H2,1-2H3
InChIKeyQCUSACZTUSCFIH-UHFFFAOYSA-N
XLogP3.74
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-Methyl-piperazin-1-yl)-4-phenyl-quinolin-3-yl]-ethanol
CID 10617666
[2-(4-Methyl-piperazin-1-yl)-4-phenyl-quinolin-3-yl]-methanol
CID 44286632
2-[4-(2-Fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-quinolin-3-yl]-ethanol
CID 44287078
[4-Hydroxymethyl-2-(4-methyl-piperazin-1-yl)-quinolin-3-yl]-methanol
CID 11243170
1-[3-[[4-(Diethylamino)quinazolin-2-yl]amino]phenyl]ethanol
CID 56729007
(2-Pyrrolidin-1-ylquinolin-3-yl)methanol
CID 28963361
(2-(Piperidin-1-yl)quinolin-3-yl)methanol
CID 930094
[3-(2-Fluorobenzyl)-1-quinolin-2-ylpiperidin-3-yl]methanol
CID 56738275
[1-(4-methylquinolin-2-yl)-4-(tetrahydro-2H-pyran-2-ylmethyl)piperidin-4-yl]methanol
CID 56744502
[2-(Cyclopropylmethylamino)quinolin-3-yl]methanol
CID 71862553
[2-(Cyclopent-3-EN-1-ylamino)quinolin-3-YL]methanol
CID 71919443
1-[[[3-(Hydroxymethyl)quinolin-2-yl]amino]methyl]cyclobutan-1-ol
CID 71925374

Frequently Asked Questions

What is the IUPAC name of [2-(4,4-dimethylazepan-1-yl)quinolin-4-yl]methanol?
The IUPAC name of [2-(4,4-dimethylazepan-1-yl)quinolin-4-yl]methanol (CID 65282785) is [2-(4,4-dimethylazepan-1-yl)quinolin-4-yl]methanol.
What is the SMILES notation for [2-(4,4-dimethylazepan-1-yl)quinolin-4-yl]methanol?
The canonical SMILES for [2-(4,4-dimethylazepan-1-yl)quinolin-4-yl]methanol is CC1(C)CCCN(c2cc(CO)c3ccccc3n2)CC1.
What is the InChIKey of [2-(4,4-dimethylazepan-1-yl)quinolin-4-yl]methanol?
The InChIKey is QCUSACZTUSCFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-18(2)8-5-10-20(11-9-18)17-12-14(13-21)15-6-3-4-7-16(15)19-17/h3-4,6-7,12,21H,5,8-11,13H2,1-2H3.
What are the key properties of [2-(4,4-dimethylazepan-1-yl)quinolin-4-yl]methanol?
[2-(4,4-dimethylazepan-1-yl)quinolin-4-yl]methanol has a molecular weight of 284.40 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,4-dimethylazepan-1-yl)quinolin-4-yl]methanol is sourced from PubChem (CID 65282785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).