3-chloro-5-fluoro-N-(2-quinolin-6-ylethyl)pyridin-4-amine

C16H13ClFN3 — CID 166360112

IUPAC3-chloro-5-fluoro-N-(2-quinolin-6-ylethyl)pyridin-4-amine
SMILESFc1cncc(Cl)c1NCCc1ccc2ncccc2c1
InChIInChI=1S/C16H13ClFN3/c17-13-9-19-10-14(18)16(13)21-7-5-11-3-4-15-12(8-11)2-1-6-20-15/h1-4,6,8-10H,5,7H2,(H,19,21)
InChIKeyGSZQMRZTLAJZCA-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.08
Rot. Bonds4

About 3-chloro-5-fluoro-N-(2-quinolin-6-ylethyl)pyridin-4-amine

3-chloro-5-fluoro-N-(2-quinolin-6-ylethyl)pyridin-4-amine (PubChem CID 166360112) has the molecular formula C16H13ClFN3 and a molecular weight of 301.75 g/mol. Its IUPAC name is 3-chloro-5-fluoro-N-(2-quinolin-6-ylethyl)pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-5-fluoro-N-(2-quinolin-6-ylethyl)pyridin-4-amine
PubChem CID166360112
Molecular FormulaC16H13ClFN3
Molecular Weight301.75 g/mol
Exact Mass301.08
IUPAC Name3-chloro-5-fluoro-N-(2-quinolin-6-ylethyl)pyridin-4-amine
SMILESFc1cncc(Cl)c1NCCc1ccc2ncccc2c1
InChIInChI=1S/C16H13ClFN3/c17-13-9-19-10-14(18)16(13)21-7-5-11-3-4-15-12(8-11)2-1-6-20-15/h1-4,6,8-10H,5,7H2,(H,19,21)
InChIKeyGSZQMRZTLAJZCA-UHFFFAOYSA-N
XLogP4.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-N-(2-isoquinolin-6-ylethyl)pyridin-4-amine
CID 167779053
2-methyl-N-(2-quinolin-6-ylethyl)propan-2-amine
CID 62549001
4-chloro-3-fluoro-N-(quinolin-6-ylmethyl)aniline
CID 61470243
6-(2-chloroethyl)quinoline
CID 53404433
6-(2-bromoethyl)quinoline
CID 68811984
3-quinolin-6-ylpropanenitrile
CID 53417284
2-bromo-4-chloro-N-(quinolin-6-ylmethyl)aniline
CID 81263311
2-fluoro-5-methyl-N-(quinolin-6-ylmethyl)aniline
CID 28968475
N-[(2-chloro-6-fluorophenyl)methyl]quinolin-6-amine
CID 62636135
2-chloro-4-N-(quinolin-6-ylmethyl)pyrimidine-4,5-diamine
CID 59627820
4-chloro-N-(quinolin-6-ylmethyl)butan-1-amine
CID 106844355
3,3-dimethyl-4-quinolin-6-ylbutan-1-amine
CID 116997321

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-N-(2-quinolin-6-ylethyl)pyridin-4-amine?
The IUPAC name of 3-chloro-5-fluoro-N-(2-quinolin-6-ylethyl)pyridin-4-amine (CID 166360112) is 3-chloro-5-fluoro-N-(2-quinolin-6-ylethyl)pyridin-4-amine.
What is the SMILES notation for 3-chloro-5-fluoro-N-(2-quinolin-6-ylethyl)pyridin-4-amine?
The canonical SMILES for 3-chloro-5-fluoro-N-(2-quinolin-6-ylethyl)pyridin-4-amine is Fc1cncc(Cl)c1NCCc1ccc2ncccc2c1.
What is the InChIKey of 3-chloro-5-fluoro-N-(2-quinolin-6-ylethyl)pyridin-4-amine?
The InChIKey is GSZQMRZTLAJZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3/c17-13-9-19-10-14(18)16(13)21-7-5-11-3-4-15-12(8-11)2-1-6-20-15/h1-4,6,8-10H,5,7H2,(H,19,21).
What are the key properties of 3-chloro-5-fluoro-N-(2-quinolin-6-ylethyl)pyridin-4-amine?
3-chloro-5-fluoro-N-(2-quinolin-6-ylethyl)pyridin-4-amine has a molecular weight of 301.75 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-N-(2-quinolin-6-ylethyl)pyridin-4-amine is sourced from PubChem (CID 166360112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).