3-fluoro-4-(isoquinolin-5-ylamino)benzonitrile

C16H10FN3 — CID 43808556

IUPAC3-fluoro-4-(isoquinolin-5-ylamino)benzonitrile
SMILESN#Cc1ccc(Nc2cccc3cnccc23)c(F)c1
InChIInChI=1S/C16H10FN3/c17-14-8-11(9-18)4-5-16(14)20-15-3-1-2-12-10-19-7-6-13(12)15/h1-8,10,20H
InChIKeyZEJKVDDJHNTCMI-UHFFFAOYSA-N
MW263.28 g/mol
LogP3.99
Rot. Bonds2

About 3-fluoro-4-(isoquinolin-5-ylamino)benzonitrile

3-fluoro-4-(isoquinolin-5-ylamino)benzonitrile (PubChem CID 43808556) has the molecular formula C16H10FN3 and a molecular weight of 263.28 g/mol. Its IUPAC name is 3-fluoro-4-(isoquinolin-5-ylamino)benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-(isoquinolin-5-ylamino)benzonitrile
PubChem CID43808556
Molecular FormulaC16H10FN3
Molecular Weight263.28 g/mol
Exact Mass263.09
IUPAC Name3-fluoro-4-(isoquinolin-5-ylamino)benzonitrile
SMILESN#Cc1ccc(Nc2cccc3cnccc23)c(F)c1
InChIInChI=1S/C16H10FN3/c17-14-8-11(9-18)4-5-16(14)20-15-3-1-2-12-10-19-7-6-13(12)15/h1-8,10,20H
InChIKeyZEJKVDDJHNTCMI-UHFFFAOYSA-N
XLogP3.99
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-4-(isoquinolin-5-ylamino)benzonitrile 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

4-amino-3-(isoquinolin-5-ylamino)benzonitrile
CID 104711588
4-[(5-aminoisoquinolin-8-yl)amino]-3-fluorobenzonitrile
CID 103138842
2-(isoquinolin-5-ylamino)pyridine-4-carbonitrile
CID 43808553
3-fluoro-4-(pyridin-3-ylamino)benzonitrile
CID 43657005
4-bromo-2-(isoquinolin-5-ylamino)benzonitrile
CID 114901487
2-amino-3-(4-cyano-2-fluoroanilino)benzonitrile
CID 104716975
4-bromo-5-fluoro-1-N-isoquinolin-5-ylbenzene-1,2-diamine
CID 66111882
3-fluoro-5-(isoquinolin-8-ylamino)benzonitrile
CID 102816923
4-(3-chloro-2-methylanilino)-3-fluorobenzonitrile
CID 43657055
4-[2-(difluoromethoxy)anilino]-3-fluorobenzonitrile
CID 43657318
N-(4,6-dichloro-1,3,5-triazin-2-yl)isoquinolin-5-amine
CID 62869400
3-fluoro-4-(3-fluoroanilino)benzonitrile
CID 43657175

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(isoquinolin-5-ylamino)benzonitrile?
The IUPAC name of 3-fluoro-4-(isoquinolin-5-ylamino)benzonitrile (CID 43808556) is 3-fluoro-4-(isoquinolin-5-ylamino)benzonitrile.
What is the SMILES notation for 3-fluoro-4-(isoquinolin-5-ylamino)benzonitrile?
The canonical SMILES for 3-fluoro-4-(isoquinolin-5-ylamino)benzonitrile is N#Cc1ccc(Nc2cccc3cnccc23)c(F)c1.
What is the InChIKey of 3-fluoro-4-(isoquinolin-5-ylamino)benzonitrile?
The InChIKey is ZEJKVDDJHNTCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3/c17-14-8-11(9-18)4-5-16(14)20-15-3-1-2-12-10-19-7-6-13(12)15/h1-8,10,20H.
What are the key properties of 3-fluoro-4-(isoquinolin-5-ylamino)benzonitrile?
3-fluoro-4-(isoquinolin-5-ylamino)benzonitrile has a molecular weight of 263.28 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(isoquinolin-5-ylamino)benzonitrile is sourced from PubChem (CID 43808556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).