1-[6-bromo-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]quinolin-3-yl]ethanone

C21H26BrN3O — CID 66715820

IUPAC1-[6-bromo-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]quinolin-3-yl]ethanone
SMILESCC(=O)c1cnc2ccc(Br)cc2c1N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C21H26BrN3O/c1-15(26)19-13-23-20-5-4-17(22)12-18(20)21(19)25-10-6-16(7-11-25)14-24-8-2-3-9-24/h4-5,12-13,16H,2-3,6-11,14H2,1H3
InChIKeyZTSMUEWAZRPIOC-UHFFFAOYSA-N
MW416.36 g/mol
LogP4.51
Rot. Bonds4

About 1-[6-bromo-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]quinolin-3-yl]ethanone

1-[6-bromo-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]quinolin-3-yl]ethanone (PubChem CID 66715820) has the molecular formula C21H26BrN3O and a molecular weight of 416.36 g/mol. Its IUPAC name is 1-[6-bromo-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]quinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-bromo-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]quinolin-3-yl]ethanone
PubChem CID66715820
Molecular FormulaC21H26BrN3O
Molecular Weight416.36 g/mol
Exact Mass415.13
IUPAC Name1-[6-bromo-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]quinolin-3-yl]ethanone
SMILESCC(=O)c1cnc2ccc(Br)cc2c1N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C21H26BrN3O/c1-15(26)19-13-23-20-5-4-17(22)12-18(20)21(19)25-10-6-16(7-11-25)14-24-8-2-3-9-24/h4-5,12-13,16H,2-3,6-11,14H2,1H3
InChIKeyZTSMUEWAZRPIOC-UHFFFAOYSA-N
XLogP4.51
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.36
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-bromo-4-[[4-(pyrrolidin-1-ylmethyl)cyclohexyl]amino]quinolin-3-yl]-cyclopropylmethanone
CID 66716832
methyl 6-bromo-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]quinoline-2-carboxylate
CID 133317795
[1-(3-amino-6-bromoquinolin-4-yl)piperidin-4-yl]methanol
CID 43621280
[6-(3-chloro-4-hydroxyphenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]quinolin-3-yl]-cyclopropylmethanone
CID 66715921
6-bromo-4-[4-(methoxymethyl)piperidin-1-yl]quinolin-3-amine
CID 63971710
1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[4-(piperidin-1-ylmethyl)cyclohexyl]amino]quinolin-3-yl]ethanone
CID 148973669
1-[1-(3-amino-6-bromoquinolin-4-yl)piperidin-4-yl]ethanol
CID 106835353
2-[1-(6-bromo-3-methylsulfonylquinolin-4-yl)piperidin-4-yl]-N,N-dimethylethanamine
CID 66715268
6-bromo-4-pyrrolidin-1-ylquinolin-3-amine
CID 43621123
6-bromo-4-(4-methylazepan-1-yl)quinolin-3-amine
CID 63624085
[4-[(3-acetyl-6-bromoquinolin-4-yl)amino]cyclohexyl]methyl methanesulfonate
CID 86692853
1-(6-bromoquinazolin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 87021145

Frequently Asked Questions

What is the IUPAC name of 1-[6-bromo-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]quinolin-3-yl]ethanone?
The IUPAC name of 1-[6-bromo-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]quinolin-3-yl]ethanone (CID 66715820) is 1-[6-bromo-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]quinolin-3-yl]ethanone.
What is the SMILES notation for 1-[6-bromo-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]quinolin-3-yl]ethanone?
The canonical SMILES for 1-[6-bromo-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]quinolin-3-yl]ethanone is CC(=O)c1cnc2ccc(Br)cc2c1N1CCC(CN2CCCC2)CC1.
What is the InChIKey of 1-[6-bromo-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]quinolin-3-yl]ethanone?
The InChIKey is ZTSMUEWAZRPIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrN3O/c1-15(26)19-13-23-20-5-4-17(22)12-18(20)21(19)25-10-6-16(7-11-25)14-24-8-2-3-9-24/h4-5,12-13,16H,2-3,6-11,14H2,1H3.
What are the key properties of 1-[6-bromo-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]quinolin-3-yl]ethanone?
1-[6-bromo-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]quinolin-3-yl]ethanone has a molecular weight of 416.36 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-bromo-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]quinolin-3-yl]ethanone is sourced from PubChem (CID 66715820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).