2-chloro-4,6-difluoro-N-(quinolin-4-ylmethyl)aniline

C16H11ClF2N2 — CID 83072892

IUPAC2-chloro-4,6-difluoro-N-(quinolin-4-ylmethyl)aniline
SMILESFc1cc(F)c(NCc2ccnc3ccccc23)c(Cl)c1
InChIInChI=1S/C16H11ClF2N2/c17-13-7-11(18)8-14(19)16(13)21-9-10-5-6-20-15-4-2-1-3-12(10)15/h1-8,21H,9H2
InChIKeyWWIPTGJQNJWEDG-UHFFFAOYSA-N
MW304.73 g/mol
LogP4.78
Rot. Bonds3

About 2-chloro-4,6-difluoro-N-(quinolin-4-ylmethyl)aniline

2-chloro-4,6-difluoro-N-(quinolin-4-ylmethyl)aniline (PubChem CID 83072892) has the molecular formula C16H11ClF2N2 and a molecular weight of 304.73 g/mol. Its IUPAC name is 2-chloro-4,6-difluoro-N-(quinolin-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-chloro-4,6-difluoro-N-(quinolin-4-ylmethyl)aniline
PubChem CID83072892
Molecular FormulaC16H11ClF2N2
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name2-chloro-4,6-difluoro-N-(quinolin-4-ylmethyl)aniline
SMILESFc1cc(F)c(NCc2ccnc3ccccc23)c(Cl)c1
InChIInChI=1S/C16H11ClF2N2/c17-13-7-11(18)8-14(19)16(13)21-9-10-5-6-20-15-4-2-1-3-12(10)15/h1-8,21H,9H2
InChIKeyWWIPTGJQNJWEDG-UHFFFAOYSA-N
XLogP4.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-4-fluoro-N-(quinolin-4-ylmethyl)aniline
CID 83078319
2-bromo-4,6-difluoro-N-(quinolin-4-ylmethyl)aniline
CID 63867024
2-chloro-4,6-difluoro-N-(1H-indol-3-ylmethyl)aniline
CID 83081633
2,4,5-trifluoro-N-(quinolin-4-ylmethyl)aniline
CID 63868097
3,4,5-trifluoro-N-(quinolin-4-ylmethyl)aniline
CID 63868241
3-chloro-2-fluoro-N-(quinolin-4-ylmethyl)aniline
CID 63867022
2-bromo-6-fluoro-N-(quinolin-4-ylmethyl)aniline
CID 107598558
2-chloro-N-[(2,4-dichlorophenyl)methyl]-4,6-difluoroaniline
CID 83081309
2-chloro-N-[(2-ethoxyphenyl)methyl]-4,6-difluoroaniline
CID 83082100
N-[(2,4-difluorophenyl)methyl]quinolin-4-amine
CID 62227376
4-bromo-2-chloro-N-(quinolin-4-ylmethyl)aniline
CID 63866864
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-4,6-difluoroaniline
CID 83082114

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-difluoro-N-(quinolin-4-ylmethyl)aniline?
The IUPAC name of 2-chloro-4,6-difluoro-N-(quinolin-4-ylmethyl)aniline (CID 83072892) is 2-chloro-4,6-difluoro-N-(quinolin-4-ylmethyl)aniline.
What is the SMILES notation for 2-chloro-4,6-difluoro-N-(quinolin-4-ylmethyl)aniline?
The canonical SMILES for 2-chloro-4,6-difluoro-N-(quinolin-4-ylmethyl)aniline is Fc1cc(F)c(NCc2ccnc3ccccc23)c(Cl)c1.
What is the InChIKey of 2-chloro-4,6-difluoro-N-(quinolin-4-ylmethyl)aniline?
The InChIKey is WWIPTGJQNJWEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N2/c17-13-7-11(18)8-14(19)16(13)21-9-10-5-6-20-15-4-2-1-3-12(10)15/h1-8,21H,9H2.
What are the key properties of 2-chloro-4,6-difluoro-N-(quinolin-4-ylmethyl)aniline?
2-chloro-4,6-difluoro-N-(quinolin-4-ylmethyl)aniline has a molecular weight of 304.73 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-difluoro-N-(quinolin-4-ylmethyl)aniline is sourced from PubChem (CID 83072892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).