4-chloro-3-fluoro-N-(quinolin-6-ylmethyl)aniline

C16H12ClFN2 — CID 61470243

IUPAC4-chloro-3-fluoro-N-(quinolin-6-ylmethyl)aniline
SMILESFc1cc(NCc2ccc3ncccc3c2)ccc1Cl
InChIInChI=1S/C16H12ClFN2/c17-14-5-4-13(9-15(14)18)20-10-11-3-6-16-12(8-11)2-1-7-19-16/h1-9,20H,10H2
InChIKeyKIDATTMBWAPVGT-UHFFFAOYSA-N
MW286.74 g/mol
LogP4.64
Rot. Bonds3

About 4-chloro-3-fluoro-N-(quinolin-6-ylmethyl)aniline

4-chloro-3-fluoro-N-(quinolin-6-ylmethyl)aniline (PubChem CID 61470243) has the molecular formula C16H12ClFN2 and a molecular weight of 286.74 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-(quinolin-6-ylmethyl)aniline.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-(quinolin-6-ylmethyl)aniline
PubChem CID61470243
Molecular FormulaC16H12ClFN2
Molecular Weight286.74 g/mol
Exact Mass286.07
IUPAC Name4-chloro-3-fluoro-N-(quinolin-6-ylmethyl)aniline
SMILESFc1cc(NCc2ccc3ncccc3c2)ccc1Cl
InChIInChI=1S/C16H12ClFN2/c17-14-5-4-13(9-15(14)18)20-10-11-3-6-16-12(8-11)2-1-7-19-16/h1-9,20H,10H2
InChIKeyKIDATTMBWAPVGT-UHFFFAOYSA-N
XLogP4.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]quinolin-6-amine
CID 62636135
2,6-difluoro-4-[(quinolin-6-ylamino)methyl]phenol
CID 79883860
N-[(3,4-dimethylphenyl)methyl]quinolin-6-amine
CID 62634241
4-chloro-N-[(3,4-difluorophenyl)methyl]-3-fluoroaniline
CID 43721394
4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoroaniline
CID 81145480
3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776356
N-[(4-ethoxyphenyl)methyl]quinolin-6-amine
CID 62636132
4-chloro-N-[(3-chlorophenyl)methyl]-3-fluoroaniline
CID 43721513
2-bromo-4-chloro-N-(quinolin-6-ylmethyl)aniline
CID 81263311
2-fluoro-5-methyl-N-(quinolin-6-ylmethyl)aniline
CID 28968475
N-(pyridin-3-ylmethyl)quinolin-6-amine
CID 53392291
N-[(2,5-difluorophenyl)methyl]quinolin-6-amine
CID 62634585

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-(quinolin-6-ylmethyl)aniline?
The IUPAC name of 4-chloro-3-fluoro-N-(quinolin-6-ylmethyl)aniline (CID 61470243) is 4-chloro-3-fluoro-N-(quinolin-6-ylmethyl)aniline.
What is the SMILES notation for 4-chloro-3-fluoro-N-(quinolin-6-ylmethyl)aniline?
The canonical SMILES for 4-chloro-3-fluoro-N-(quinolin-6-ylmethyl)aniline is Fc1cc(NCc2ccc3ncccc3c2)ccc1Cl.
What is the InChIKey of 4-chloro-3-fluoro-N-(quinolin-6-ylmethyl)aniline?
The InChIKey is KIDATTMBWAPVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2/c17-14-5-4-13(9-15(14)18)20-10-11-3-6-16-12(8-11)2-1-7-19-16/h1-9,20H,10H2.
What are the key properties of 4-chloro-3-fluoro-N-(quinolin-6-ylmethyl)aniline?
4-chloro-3-fluoro-N-(quinolin-6-ylmethyl)aniline has a molecular weight of 286.74 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-N-(quinolin-6-ylmethyl)aniline is sourced from PubChem (CID 61470243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).