7-fluoro-8-N-methyl-8-N-phenylquinoline-5,8-diamine

C16H14FN3 — CID 83173957

IUPAC7-fluoro-8-N-methyl-8-N-phenylquinoline-5,8-diamine
SMILESCN(c1ccccc1)c1c(F)cc(N)c2cccnc12
InChIInChI=1S/C16H14FN3/c1-20(11-6-3-2-4-7-11)16-13(17)10-14(18)12-8-5-9-19-15(12)16/h2-10H,18H2,1H3
InChIKeyDUUNETJUTHVONG-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.72
Rot. Bonds2

About 7-fluoro-8-N-methyl-8-N-phenylquinoline-5,8-diamine

7-fluoro-8-N-methyl-8-N-phenylquinoline-5,8-diamine (PubChem CID 83173957) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is 7-fluoro-8-N-methyl-8-N-phenylquinoline-5,8-diamine.

Molecular Properties

Compound Name7-fluoro-8-N-methyl-8-N-phenylquinoline-5,8-diamine
PubChem CID83173957
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name7-fluoro-8-N-methyl-8-N-phenylquinoline-5,8-diamine
SMILESCN(c1ccccc1)c1c(F)cc(N)c2cccnc12
InChIInChI=1S/C16H14FN3/c1-20(11-6-3-2-4-7-11)16-13(17)10-14(18)12-8-5-9-19-15(12)16/h2-10H,18H2,1H3
InChIKeyDUUNETJUTHVONG-UHFFFAOYSA-N
XLogP3.72
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-fluoro-8-N-methyl-8-N-phenylquinoline-5,8-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-N-methyl-8-N-phenylquinoline-5,8-diamine?
The IUPAC name of 7-fluoro-8-N-methyl-8-N-phenylquinoline-5,8-diamine (CID 83173957) is 7-fluoro-8-N-methyl-8-N-phenylquinoline-5,8-diamine.
What is the SMILES notation for 7-fluoro-8-N-methyl-8-N-phenylquinoline-5,8-diamine?
The canonical SMILES for 7-fluoro-8-N-methyl-8-N-phenylquinoline-5,8-diamine is CN(c1ccccc1)c1c(F)cc(N)c2cccnc12.
What is the InChIKey of 7-fluoro-8-N-methyl-8-N-phenylquinoline-5,8-diamine?
The InChIKey is DUUNETJUTHVONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c1-20(11-6-3-2-4-7-11)16-13(17)10-14(18)12-8-5-9-19-15(12)16/h2-10H,18H2,1H3.
What are the key properties of 7-fluoro-8-N-methyl-8-N-phenylquinoline-5,8-diamine?
7-fluoro-8-N-methyl-8-N-phenylquinoline-5,8-diamine has a molecular weight of 267.31 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-N-methyl-8-N-phenylquinoline-5,8-diamine is sourced from PubChem (CID 83173957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).