6-bromo-2-(3-methylpiperidin-1-yl)quinoline-4-carbonitrile

C16H16BrN3 — CID 156650895

IUPAC6-bromo-2-(3-methylpiperidin-1-yl)quinoline-4-carbonitrile
SMILESCC1CCCN(c2cc(C#N)c3cc(Br)ccc3n2)C1
InChIInChI=1S/C16H16BrN3/c1-11-3-2-6-20(10-11)16-7-12(9-18)14-8-13(17)4-5-15(14)19-16/h4-5,7-8,11H,2-3,6,10H2,1H3
InChIKeyFWZOMQMWIQSVRF-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.11
Rot. Bonds1

About 6-bromo-2-(3-methylpiperidin-1-yl)quinoline-4-carbonitrile

6-bromo-2-(3-methylpiperidin-1-yl)quinoline-4-carbonitrile (PubChem CID 156650895) has the molecular formula C16H16BrN3 and a molecular weight of 330.23 g/mol. Its IUPAC name is 6-bromo-2-(3-methylpiperidin-1-yl)quinoline-4-carbonitrile.

Molecular Properties

Compound Name6-bromo-2-(3-methylpiperidin-1-yl)quinoline-4-carbonitrile
PubChem CID156650895
Molecular FormulaC16H16BrN3
Molecular Weight330.23 g/mol
Exact Mass329.05
IUPAC Name6-bromo-2-(3-methylpiperidin-1-yl)quinoline-4-carbonitrile
SMILESCC1CCCN(c2cc(C#N)c3cc(Br)ccc3n2)C1
InChIInChI=1S/C16H16BrN3/c1-11-3-2-6-20(10-11)16-7-12(9-18)14-8-13(17)4-5-15(14)19-16/h4-5,7-8,11H,2-3,6,10H2,1H3
InChIKeyFWZOMQMWIQSVRF-UHFFFAOYSA-N
XLogP4.11
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-(3-methylsulfonylpiperidin-1-yl)quinoline-4-carbonitrile
CID 156650881
2-(3-formylpiperidin-1-yl)quinoline-4-carbonitrile
CID 63883511
2-[(3S)-3-methoxypyrrolidin-1-yl]-6-methylquinoline-4-carbonitrile
CID 156650909
2-[3-(azepan-1-yl)piperidin-1-yl]-6-nitroquinoline-4-carbonitrile
CID 133454385
4-(chloromethyl)-2-(3-methylpiperidin-1-yl)quinoline
CID 61257807
4-[(3R)-3-methylpiperidin-1-yl]-2-pyrrolidin-1-ylquinoline
CID 124896109
N-tert-butyl-1-(4-cyanoquinolin-2-yl)piperidine-3-carboxamide
CID 165435188
1-(4-cyano-6-nitroquinolin-2-yl)-5-methylpiperidine-3-carboxylic acid
CID 122106703
N-(4-bromo-2-methylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926128
6-bromo-2-tert-butylquinoline-4-carbonitrile
CID 71742656
2-(3-methylpiperidin-1-yl)-4-phenylbenzonitrile
CID 171037824
2-chloro-6-(3-methylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 43166580

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-methylpiperidin-1-yl)quinoline-4-carbonitrile?
The IUPAC name of 6-bromo-2-(3-methylpiperidin-1-yl)quinoline-4-carbonitrile (CID 156650895) is 6-bromo-2-(3-methylpiperidin-1-yl)quinoline-4-carbonitrile.
What is the SMILES notation for 6-bromo-2-(3-methylpiperidin-1-yl)quinoline-4-carbonitrile?
The canonical SMILES for 6-bromo-2-(3-methylpiperidin-1-yl)quinoline-4-carbonitrile is CC1CCCN(c2cc(C#N)c3cc(Br)ccc3n2)C1.
What is the InChIKey of 6-bromo-2-(3-methylpiperidin-1-yl)quinoline-4-carbonitrile?
The InChIKey is FWZOMQMWIQSVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3/c1-11-3-2-6-20(10-11)16-7-12(9-18)14-8-13(17)4-5-15(14)19-16/h4-5,7-8,11H,2-3,6,10H2,1H3.
What are the key properties of 6-bromo-2-(3-methylpiperidin-1-yl)quinoline-4-carbonitrile?
6-bromo-2-(3-methylpiperidin-1-yl)quinoline-4-carbonitrile has a molecular weight of 330.23 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-methylpiperidin-1-yl)quinoline-4-carbonitrile is sourced from PubChem (CID 156650895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).