2-fluoro-1-N-(2-methylquinolin-8-yl)benzene-1,4-diamine

C16H14FN3 — CID 62953097

IUPAC2-fluoro-1-N-(2-methylquinolin-8-yl)benzene-1,4-diamine
SMILESCc1ccc2cccc(Nc3ccc(N)cc3F)c2n1
InChIInChI=1S/C16H14FN3/c1-10-5-6-11-3-2-4-15(16(11)19-10)20-14-8-7-12(18)9-13(14)17/h2-9,20H,18H2,1H3
InChIKeyQZHOEKPLPXIQLZ-UHFFFAOYSA-N
MW267.31 g/mol
LogP4.01
Rot. Bonds2

About 2-fluoro-1-N-(2-methylquinolin-8-yl)benzene-1,4-diamine

2-fluoro-1-N-(2-methylquinolin-8-yl)benzene-1,4-diamine (PubChem CID 62953097) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-fluoro-1-N-(2-methylquinolin-8-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-1-N-(2-methylquinolin-8-yl)benzene-1,4-diamine
PubChem CID62953097
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name2-fluoro-1-N-(2-methylquinolin-8-yl)benzene-1,4-diamine
SMILESCc1ccc2cccc(Nc3ccc(N)cc3F)c2n1
InChIInChI=1S/C16H14FN3/c1-10-5-6-11-3-2-4-15(16(11)19-10)20-14-8-7-12(18)9-13(14)17/h2-9,20H,18H2,1H3
InChIKeyQZHOEKPLPXIQLZ-UHFFFAOYSA-N
XLogP4.01
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-1-N-quinolin-8-ylbenzene-1,4-diamine
CID 43148647
4-N-(4-bromo-2-fluorophenyl)-6-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine
CID 19144940
3-N-(2-methylquinolin-8-yl)pyridine-2,3-diamine
CID 104540323
(2-methylquinolin-8-yl)hydrazine
CID 957615
N-[(2,6-difluorophenyl)methyl]-2-methylquinolin-8-amine
CID 62954438
1-N-(2-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067265
1-N-(2-bromo-3-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 103477514
4-chloro-2-[(2-methylquinolin-8-yl)amino]benzonitrile
CID 63510997
2-bromo-6-[(2-methylquinolin-8-yl)amino]benzonitrile
CID 114880986
2-fluoro-1-N-pyridin-4-ylbenzene-1,4-diamine
CID 157044293
6-N-(3-chlorophenyl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine
CID 19144885
2-methyl-8-(sulfamoylamino)quinoline
CID 112573710

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-N-(2-methylquinolin-8-yl)benzene-1,4-diamine?
The IUPAC name of 2-fluoro-1-N-(2-methylquinolin-8-yl)benzene-1,4-diamine (CID 62953097) is 2-fluoro-1-N-(2-methylquinolin-8-yl)benzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-1-N-(2-methylquinolin-8-yl)benzene-1,4-diamine?
The canonical SMILES for 2-fluoro-1-N-(2-methylquinolin-8-yl)benzene-1,4-diamine is Cc1ccc2cccc(Nc3ccc(N)cc3F)c2n1.
What is the InChIKey of 2-fluoro-1-N-(2-methylquinolin-8-yl)benzene-1,4-diamine?
The InChIKey is QZHOEKPLPXIQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c1-10-5-6-11-3-2-4-15(16(11)19-10)20-14-8-7-12(18)9-13(14)17/h2-9,20H,18H2,1H3.
What are the key properties of 2-fluoro-1-N-(2-methylquinolin-8-yl)benzene-1,4-diamine?
2-fluoro-1-N-(2-methylquinolin-8-yl)benzene-1,4-diamine has a molecular weight of 267.31 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-N-(2-methylquinolin-8-yl)benzene-1,4-diamine is sourced from PubChem (CID 62953097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).