8-bromo-5-fluoro-N-(2-piperidin-2-ylethyl)quinolin-4-amine

C16H19BrFN3 — CID 166349132

IUPAC8-bromo-5-fluoro-N-(2-piperidin-2-ylethyl)quinolin-4-amine
SMILESFc1ccc(Br)c2nccc(NCCC3CCCCN3)c12
InChIInChI=1S/C16H19BrFN3/c17-12-4-5-13(18)15-14(7-10-21-16(12)15)20-9-6-11-3-1-2-8-19-11/h4-5,7,10-11,19H,1-3,6,8-9H2,(H,20,21)
InChIKeyTYCDXAUSOXXPRC-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.08
Rot. Bonds4

About 8-bromo-5-fluoro-N-(2-piperidin-2-ylethyl)quinolin-4-amine

8-bromo-5-fluoro-N-(2-piperidin-2-ylethyl)quinolin-4-amine (PubChem CID 166349132) has the molecular formula C16H19BrFN3 and a molecular weight of 352.25 g/mol. Its IUPAC name is 8-bromo-5-fluoro-N-(2-piperidin-2-ylethyl)quinolin-4-amine.

Molecular Properties

Compound Name8-bromo-5-fluoro-N-(2-piperidin-2-ylethyl)quinolin-4-amine
PubChem CID166349132
Molecular FormulaC16H19BrFN3
Molecular Weight352.25 g/mol
Exact Mass351.07
IUPAC Name8-bromo-5-fluoro-N-(2-piperidin-2-ylethyl)quinolin-4-amine
SMILESFc1ccc(Br)c2nccc(NCCC3CCCCN3)c12
InChIInChI=1S/C16H19BrFN3/c17-12-4-5-13(18)15-14(7-10-21-16(12)15)20-9-6-11-3-1-2-8-19-11/h4-5,7,10-11,19H,1-3,6,8-9H2,(H,20,21)
InChIKeyTYCDXAUSOXXPRC-UHFFFAOYSA-N
XLogP4.08
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-N-(2-pyrrolidin-2-ylethyl)-1,5-naphthyridin-4-amine
CID 114794555
7-chloro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-4-amine
CID 104973339
2,4-difluoro-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210125
3-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 106876235
2,3,4-trifluoro-N-(piperidin-2-ylmethyl)aniline
CID 106632842
2-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine
CID 104703716
3-bromo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzonitrile
CID 104973065
3-methyl-N-(2-piperidin-2-ylethyl)pyridin-2-amine
CID 83837474
5-bromo-2-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210168
8-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-5-amine
CID 104973546
3,5-dibromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104973107
2-fluoro-6-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzonitrile
CID 104972838

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-fluoro-N-(2-piperidin-2-ylethyl)quinolin-4-amine?
The IUPAC name of 8-bromo-5-fluoro-N-(2-piperidin-2-ylethyl)quinolin-4-amine (CID 166349132) is 8-bromo-5-fluoro-N-(2-piperidin-2-ylethyl)quinolin-4-amine.
What is the SMILES notation for 8-bromo-5-fluoro-N-(2-piperidin-2-ylethyl)quinolin-4-amine?
The canonical SMILES for 8-bromo-5-fluoro-N-(2-piperidin-2-ylethyl)quinolin-4-amine is Fc1ccc(Br)c2nccc(NCCC3CCCCN3)c12.
What is the InChIKey of 8-bromo-5-fluoro-N-(2-piperidin-2-ylethyl)quinolin-4-amine?
The InChIKey is TYCDXAUSOXXPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFN3/c17-12-4-5-13(18)15-14(7-10-21-16(12)15)20-9-6-11-3-1-2-8-19-11/h4-5,7,10-11,19H,1-3,6,8-9H2,(H,20,21).
What are the key properties of 8-bromo-5-fluoro-N-(2-piperidin-2-ylethyl)quinolin-4-amine?
8-bromo-5-fluoro-N-(2-piperidin-2-ylethyl)quinolin-4-amine has a molecular weight of 352.25 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-fluoro-N-(2-piperidin-2-ylethyl)quinolin-4-amine is sourced from PubChem (CID 166349132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).