4-[(5-chloroquinolin-8-yl)amino]-2-fluorobenzonitrile

C16H9ClFN3 — CID 116784522

IUPAC4-[(5-chloroquinolin-8-yl)amino]-2-fluorobenzonitrile
SMILESN#Cc1ccc(Nc2ccc(Cl)c3cccnc23)cc1F
InChIInChI=1S/C16H9ClFN3/c17-13-5-6-15(16-12(13)2-1-7-20-16)21-11-4-3-10(9-19)14(18)8-11/h1-8,21H
InChIKeyVLWOLTNOWCHDGN-UHFFFAOYSA-N
MW297.72 g/mol
LogP4.64
Rot. Bonds2

About 4-[(5-chloroquinolin-8-yl)amino]-2-fluorobenzonitrile

4-[(5-chloroquinolin-8-yl)amino]-2-fluorobenzonitrile (PubChem CID 116784522) has the molecular formula C16H9ClFN3 and a molecular weight of 297.72 g/mol. Its IUPAC name is 4-[(5-chloroquinolin-8-yl)amino]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[(5-chloroquinolin-8-yl)amino]-2-fluorobenzonitrile
PubChem CID116784522
Molecular FormulaC16H9ClFN3
Molecular Weight297.72 g/mol
Exact Mass297.05
IUPAC Name4-[(5-chloroquinolin-8-yl)amino]-2-fluorobenzonitrile
SMILESN#Cc1ccc(Nc2ccc(Cl)c3cccnc23)cc1F
InChIInChI=1S/C16H9ClFN3/c17-13-5-6-15(16-12(13)2-1-7-20-16)21-11-4-3-10(9-19)14(18)8-11/h1-8,21H
InChIKeyVLWOLTNOWCHDGN-UHFFFAOYSA-N
XLogP4.64
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chloroquinolin-8-yl)amino]pyridine-3-carbonitrile
CID 116784510
5-[(5-chloroquinolin-8-yl)amino]pyridine-2-carbonitrile
CID 116784530
4-(4-bromo-2-chloroanilino)-2-fluorobenzonitrile
CID 113295531
2-[(5-chloroquinolin-8-yl)amino]-6-methylpyridine-4-carbonitrile
CID 114766696
1-N-(5-chloroquinolin-8-yl)-4-fluorobenzene-1,2-diamine
CID 116782991
8-chloroquinoline-5-carbonitrile
CID 119084135
2-bromo-6-[(5-chloroquinolin-8-yl)amino]benzonitrile
CID 114881447
2-(3-chloro-4-fluoroanilino)pyridine-3-carbonitrile
CID 28832788
2-N-(5-chloroquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine
CID 116783002
3-N-(5-chloroquinolin-8-yl)-5-methylbenzene-1,3-diamine
CID 116783012
8-N-(3,4,5-trifluorophenyl)quinoline-5,8-diamine
CID 62809309
2-fluoro-4-(3-fluoro-2-methylanilino)benzonitrile
CID 113295636

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloroquinolin-8-yl)amino]-2-fluorobenzonitrile?
The IUPAC name of 4-[(5-chloroquinolin-8-yl)amino]-2-fluorobenzonitrile (CID 116784522) is 4-[(5-chloroquinolin-8-yl)amino]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[(5-chloroquinolin-8-yl)amino]-2-fluorobenzonitrile?
The canonical SMILES for 4-[(5-chloroquinolin-8-yl)amino]-2-fluorobenzonitrile is N#Cc1ccc(Nc2ccc(Cl)c3cccnc23)cc1F.
What is the InChIKey of 4-[(5-chloroquinolin-8-yl)amino]-2-fluorobenzonitrile?
The InChIKey is VLWOLTNOWCHDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFN3/c17-13-5-6-15(16-12(13)2-1-7-20-16)21-11-4-3-10(9-19)14(18)8-11/h1-8,21H.
What are the key properties of 4-[(5-chloroquinolin-8-yl)amino]-2-fluorobenzonitrile?
4-[(5-chloroquinolin-8-yl)amino]-2-fluorobenzonitrile has a molecular weight of 297.72 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloroquinolin-8-yl)amino]-2-fluorobenzonitrile is sourced from PubChem (CID 116784522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).