[1-(6-bromoquinolin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol

C19H21BrN4O — CID 133384397

IUPAC[1-(6-bromoquinolin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)C1CCCN(c2ccc3cc(Br)ccc3n2)C1
InChIInChI=1S/C19H21BrN4O/c1-23-10-8-21-19(23)18(25)14-3-2-9-24(12-14)17-7-4-13-11-15(20)5-6-16(13)22-17/h4-8,10-11,14,18,25H,2-3,9,12H2,1H3
InChIKeyBOJRADYREFJNDJ-UHFFFAOYSA-N
MW401.31 g/mol
LogP3.68
Rot. Bonds3

About [1-(6-bromoquinolin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol

[1-(6-bromoquinolin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol (PubChem CID 133384397) has the molecular formula C19H21BrN4O and a molecular weight of 401.31 g/mol. Its IUPAC name is [1-(6-bromoquinolin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name[1-(6-bromoquinolin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
PubChem CID133384397
Molecular FormulaC19H21BrN4O
Molecular Weight401.31 g/mol
Exact Mass400.09
IUPAC Name[1-(6-bromoquinolin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)C1CCCN(c2ccc3cc(Br)ccc3n2)C1
InChIInChI=1S/C19H21BrN4O/c1-23-10-8-21-19(23)18(25)14-3-2-9-24(12-14)17-7-4-13-11-15(20)5-6-16(13)22-17/h4-8,10-11,14,18,25H,2-3,9,12H2,1H3
InChIKeyBOJRADYREFJNDJ-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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Frequently Asked Questions

What is the IUPAC name of [1-(6-bromoquinolin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of [1-(6-bromoquinolin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol (CID 133384397) is [1-(6-bromoquinolin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for [1-(6-bromoquinolin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for [1-(6-bromoquinolin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol is Cn1ccnc1C(O)C1CCCN(c2ccc3cc(Br)ccc3n2)C1.
What is the InChIKey of [1-(6-bromoquinolin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is BOJRADYREFJNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4O/c1-23-10-8-21-19(23)18(25)14-3-2-9-24(12-14)17-7-4-13-11-15(20)5-6-16(13)22-17/h4-8,10-11,14,18,25H,2-3,9,12H2,1H3.
What are the key properties of [1-(6-bromoquinolin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol?
[1-(6-bromoquinolin-2-yl)piperidin-3-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-(6-bromoquinolin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 133384397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).