4-(4-chloro-2-fluoroanilino)-7-hydroxyquinoline-6-carbonitrile

C16H9ClFN3O — CID 135673964

IUPAC4-(4-chloro-2-fluoroanilino)-7-hydroxyquinoline-6-carbonitrile
SMILESN#Cc1cc2c(Nc3ccc(Cl)cc3F)ccnc2cc1O
InChIInChI=1S/C16H9ClFN3O/c17-10-1-2-14(12(18)6-10)21-13-3-4-20-15-7-16(22)9(8-19)5-11(13)15/h1-7,22H,(H,20,21)
InChIKeyZZWSPMFVCMJUOW-UHFFFAOYSA-N
MW313.72 g/mol
LogP4.35
Rot. Bonds2

About 4-(4-chloro-2-fluoroanilino)-7-hydroxyquinoline-6-carbonitrile

4-(4-chloro-2-fluoroanilino)-7-hydroxyquinoline-6-carbonitrile (PubChem CID 135673964) has the molecular formula C16H9ClFN3O and a molecular weight of 313.72 g/mol. Its IUPAC name is 4-(4-chloro-2-fluoroanilino)-7-hydroxyquinoline-6-carbonitrile.

Molecular Properties

Compound Name4-(4-chloro-2-fluoroanilino)-7-hydroxyquinoline-6-carbonitrile
PubChem CID135673964
Molecular FormulaC16H9ClFN3O
Molecular Weight313.72 g/mol
Exact Mass313.04
IUPAC Name4-(4-chloro-2-fluoroanilino)-7-hydroxyquinoline-6-carbonitrile
SMILESN#Cc1cc2c(Nc3ccc(Cl)cc3F)ccnc2cc1O
InChIInChI=1S/C16H9ClFN3O/c17-10-1-2-14(12(18)6-10)21-13-3-4-20-15-7-16(22)9(8-19)5-11(13)15/h1-7,22H,(H,20,21)
InChIKeyZZWSPMFVCMJUOW-UHFFFAOYSA-N
XLogP4.35
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.72
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chloro-2-fluoroanilino)-7-phenylmethoxyquinoline-6-carbonitrile;hydrochloride
CID 22646535
4-(2-fluoro-5-hydroxy-4-methylanilino)-7-methoxyquinoline-6-carbonitrile
CID 22646515
2-(4-chloro-2-fluoroanilino)-5-fluorobenzonitrile
CID 63669042
5-chloro-2-(quinolin-5-ylamino)benzonitrile
CID 62493218
4-[(7-chloroquinolin-4-yl)amino]naphthalen-1-ol
CID 629366
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinolin-4-amine
CID 22646600
sodium 1-[4-(6-cyano-7-hydroxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(4-fluorophenyl)urea
CID 135829377
2-(4-chloro-2-fluoroanilino)-5-nitrobenzonitrile
CID 115501023
N-(4-chlorophenyl)-7-fluoroquinolin-4-amine
CID 71468200
2-(4-amino-2-fluoroanilino)-4-chlorobenzonitrile
CID 64914398
3-fluoro-4-[(2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-yl)amino]phenol
CID 156575852
2-methoxyethyl 4-(4-chloro-2-fluoroanilino)-7-methoxyquinoline-6-sulfinate
CID 142641276

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluoroanilino)-7-hydroxyquinoline-6-carbonitrile?
The IUPAC name of 4-(4-chloro-2-fluoroanilino)-7-hydroxyquinoline-6-carbonitrile (CID 135673964) is 4-(4-chloro-2-fluoroanilino)-7-hydroxyquinoline-6-carbonitrile.
What is the SMILES notation for 4-(4-chloro-2-fluoroanilino)-7-hydroxyquinoline-6-carbonitrile?
The canonical SMILES for 4-(4-chloro-2-fluoroanilino)-7-hydroxyquinoline-6-carbonitrile is N#Cc1cc2c(Nc3ccc(Cl)cc3F)ccnc2cc1O.
What is the InChIKey of 4-(4-chloro-2-fluoroanilino)-7-hydroxyquinoline-6-carbonitrile?
The InChIKey is ZZWSPMFVCMJUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFN3O/c17-10-1-2-14(12(18)6-10)21-13-3-4-20-15-7-16(22)9(8-19)5-11(13)15/h1-7,22H,(H,20,21).
What are the key properties of 4-(4-chloro-2-fluoroanilino)-7-hydroxyquinoline-6-carbonitrile?
4-(4-chloro-2-fluoroanilino)-7-hydroxyquinoline-6-carbonitrile has a molecular weight of 313.72 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluoroanilino)-7-hydroxyquinoline-6-carbonitrile is sourced from PubChem (CID 135673964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).