1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine

C16H13ClFN3 — CID 58368472

IUPAC1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine
SMILESCC(N)c1cc(Cl)c2ccnnc2c1-c1cccc(F)c1
InChIInChI=1S/C16H13ClFN3/c1-9(19)13-8-14(17)12-5-6-20-21-16(12)15(13)10-3-2-4-11(18)7-10/h2-9H,19H2,1H3
InChIKeyAUEPHFBENSMJQJ-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.11
Rot. Bonds2

About 1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine

1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine (PubChem CID 58368472) has the molecular formula C16H13ClFN3 and a molecular weight of 301.75 g/mol. Its IUPAC name is 1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine.

Molecular Properties

Compound Name1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine
PubChem CID58368472
Molecular FormulaC16H13ClFN3
Molecular Weight301.75 g/mol
Exact Mass301.08
IUPAC Name1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine
SMILESCC(N)c1cc(Cl)c2ccnnc2c1-c1cccc(F)c1
InChIInChI=1S/C16H13ClFN3/c1-9(19)13-8-14(17)12-5-6-20-21-16(12)15(13)10-3-2-4-11(18)7-10/h2-9H,19H2,1H3
InChIKeyAUEPHFBENSMJQJ-UHFFFAOYSA-N
XLogP4.11
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

8-(4-Chloro-2-fluorophenyl)cinnoline
CID 177850982
1-[5-Fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine
CID 58368432
7-(1-Azidoethyl)-5-chloro-8-(3,5-difluorophenyl)cinnoline
CID 58368444
7-[(1S)-1-azidoethyl]-5-chloro-8-(3-fluorophenyl)cinnoline
CID 58368459
(1S)-1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine
CID 58368464
7-(1-Azidoethyl)-5-fluoro-8-(3-fluorophenyl)cinnoline
CID 58368475
7-(Azidomethyl)-5-chloro-8-(3-fluorophenyl)cinnoline
CID 58368543
1-[4-chloro-7-(3-fluorophenyl)-1H-indazol-6-yl]ethanamine
CID 58368572
7-(1-Azidoethyl)-5-chloro-8-(3-fluorophenyl)cinnoline
CID 58368577
1-[5-Chloro-8-(3,5-difluorophenyl)cinnolin-7-yl]ethanamine
CID 58368652
[5-Chloro-8-(3-fluorophenyl)cinnolin-7-yl]methanamine
CID 58368660
6-Chloro-1-(4-fluoro-2-methylphenyl)phthalazine
CID 66739677

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine?
The IUPAC name of 1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine (CID 58368472) is 1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine.
What is the SMILES notation for 1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine?
The canonical SMILES for 1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine is CC(N)c1cc(Cl)c2ccnnc2c1-c1cccc(F)c1.
What is the InChIKey of 1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine?
The InChIKey is AUEPHFBENSMJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3/c1-9(19)13-8-14(17)12-5-6-20-21-16(12)15(13)10-3-2-4-11(18)7-10/h2-9H,19H2,1H3.
What are the key properties of 1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine?
1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine has a molecular weight of 301.75 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethanamine is sourced from PubChem (CID 58368472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).