[1-(7-bromoquinolin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

C19H21BrN4O — CID 133395861

IUPAC[1-(7-bromoquinolin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)C1CCN(c2ccnc3cc(Br)ccc23)CC1
InChIInChI=1S/C19H21BrN4O/c1-23-11-8-22-19(23)18(25)13-5-9-24(10-6-13)17-4-7-21-16-12-14(20)2-3-15(16)17/h2-4,7-8,11-13,18,25H,5-6,9-10H2,1H3
InChIKeyMYHKLIXYTGXFAF-UHFFFAOYSA-N
MW401.31 g/mol
LogP3.68
Rot. Bonds3

About [1-(7-bromoquinolin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

[1-(7-bromoquinolin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (PubChem CID 133395861) has the molecular formula C19H21BrN4O and a molecular weight of 401.31 g/mol. Its IUPAC name is [1-(7-bromoquinolin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name[1-(7-bromoquinolin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
PubChem CID133395861
Molecular FormulaC19H21BrN4O
Molecular Weight401.31 g/mol
Exact Mass400.09
IUPAC Name[1-(7-bromoquinolin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)C1CCN(c2ccnc3cc(Br)ccc23)CC1
InChIInChI=1S/C19H21BrN4O/c1-23-11-8-22-19(23)18(25)13-5-9-24(10-6-13)17-4-7-21-16-12-14(20)2-3-15(16)17/h2-4,7-8,11-13,18,25H,5-6,9-10H2,1H3
InChIKeyMYHKLIXYTGXFAF-UHFFFAOYSA-N
XLogP3.68
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline-2-carbonitrile
CID 133395785
[1-(6-chloroquinolin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 133384540
(R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol
CID 176633384
[1-(6-bromoquinolin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 133384397
(1-methylimidazol-2-yl)-[1-(2-methylsulfonylphenyl)piperidin-4-yl]methanol
CID 133395796
4-(4-propan-2-ylpiperidin-1-yl)quinolin-7-amine
CID 103505187
[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 133395761
(1-methylimidazol-2-yl)-[1-(4,5,6-trimethylpyrimidin-2-yl)piperidin-4-yl]methanol
CID 162635184
(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol
CID 65393926
2H-benzotriazol-5-yl-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 77096803
1-(4-fluorophenyl)-2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanol
CID 75434389
(1S)-1-(4-fluorophenyl)-2-[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanol
CID 97092115

Frequently Asked Questions

What is the IUPAC name of [1-(7-bromoquinolin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of [1-(7-bromoquinolin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (CID 133395861) is [1-(7-bromoquinolin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for [1-(7-bromoquinolin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for [1-(7-bromoquinolin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is Cn1ccnc1C(O)C1CCN(c2ccnc3cc(Br)ccc23)CC1.
What is the InChIKey of [1-(7-bromoquinolin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is MYHKLIXYTGXFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4O/c1-23-11-8-22-19(23)18(25)13-5-9-24(10-6-13)17-4-7-21-16-12-14(20)2-3-15(16)17/h2-4,7-8,11-13,18,25H,5-6,9-10H2,1H3.
What are the key properties of [1-(7-bromoquinolin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
[1-(7-bromoquinolin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 401.31 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-bromoquinolin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 133395861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).