4-(3-chloro-4-fluoroanilino)-6-[(4-cyanophenyl)methylamino]quinoline-3-carbonitrile

C24H15ClFN5 — CID 69258656

IUPAC4-(3-chloro-4-fluoroanilino)-6-[(4-cyanophenyl)methylamino]quinoline-3-carbonitrile
SMILESN#Cc1ccc(CNc2ccc3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)cc1
InChIInChI=1S/C24H15ClFN5/c25-21-10-19(5-7-22(21)26)31-24-17(12-28)14-30-23-8-6-18(9-20(23)24)29-13-16-3-1-15(11-27)2-4-16/h1-10,14,29H,13H2,(H,30,31)
InChIKeySVLVGUIJJIZQTH-UHFFFAOYSA-N
MW427.87 g/mol
LogP6.13
Rot. Bonds5

About 4-(3-chloro-4-fluoroanilino)-6-[(4-cyanophenyl)methylamino]quinoline-3-carbonitrile

4-(3-chloro-4-fluoroanilino)-6-[(4-cyanophenyl)methylamino]quinoline-3-carbonitrile (PubChem CID 69258656) has the molecular formula C24H15ClFN5 and a molecular weight of 427.87 g/mol. Its IUPAC name is 4-(3-chloro-4-fluoroanilino)-6-[(4-cyanophenyl)methylamino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(3-chloro-4-fluoroanilino)-6-[(4-cyanophenyl)methylamino]quinoline-3-carbonitrile
PubChem CID69258656
Molecular FormulaC24H15ClFN5
Molecular Weight427.87 g/mol
Exact Mass427.10
IUPAC Name4-(3-chloro-4-fluoroanilino)-6-[(4-cyanophenyl)methylamino]quinoline-3-carbonitrile
SMILESN#Cc1ccc(CNc2ccc3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)cc1
InChIInChI=1S/C24H15ClFN5/c25-21-10-19(5-7-22(21)26)31-24-17(12-28)14-30-23-8-6-18(9-20(23)24)29-13-16-3-1-15(11-27)2-4-16/h1-10,14,29H,13H2,(H,30,31)
InChIKeySVLVGUIJJIZQTH-UHFFFAOYSA-N
XLogP6.13
TPSA84.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.87
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(3-chloro-4-fluoroanilino)-6-[(4-cyanophenyl)methylamino]quinoline-3-carbonitrile with MolForge

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Related Compounds

4-(3-chloro-4-fluoroanilino)-6-ethylquinoline-3-carbonitrile;hydrochloride
CID 45283835
4-(3-chloro-4-fluoroanilino)-6-ethoxyquinoline-3-carbonitrile
CID 27655777
methyl 2-[2-[[[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]amino]methyl]imidazol-1-yl]acetate
CID 69259355
4-(3-chloro-4-fluoroanilino)-6-[(pyridin-3-ylamino)methyl]-1,7-naphthyridine-3-carbonitrile
CID 73011300
6-[(3-bromophenyl)methylamino]-4-(3-chloro-4-fluoroanilino)-1,7-naphthyridine-3-carbonitrile
CID 175257756
4-(3-chloro-4-fluoroanilino)-7-methyl-6-(pyridin-3-ylmethylamino)quinoline-3-carbonitrile
CID 69259031
6-chloro-4-(4-fluoroanilino)quinoline-3-carbonitrile
CID 50768733
4-[(3-chloro-4-fluorophenyl)methylamino]-6-fluoro-1,7-naphthyridine-3-carbonitrile
CID 69316825
4-(benzylamino)-6-chloroquinoline-3-carbonitrile
CID 27371495
6-chloro-4-(4-methylanilino)quinoline-3-carbonitrile
CID 50768417
4-(3-chloro-4-fluoroanilino)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-3-carbonitrile
CID 166596616
4-(4-chloro-3-fluoroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile
CID 69183763

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluoroanilino)-6-[(4-cyanophenyl)methylamino]quinoline-3-carbonitrile?
The IUPAC name of 4-(3-chloro-4-fluoroanilino)-6-[(4-cyanophenyl)methylamino]quinoline-3-carbonitrile (CID 69258656) is 4-(3-chloro-4-fluoroanilino)-6-[(4-cyanophenyl)methylamino]quinoline-3-carbonitrile.
What is the SMILES notation for 4-(3-chloro-4-fluoroanilino)-6-[(4-cyanophenyl)methylamino]quinoline-3-carbonitrile?
The canonical SMILES for 4-(3-chloro-4-fluoroanilino)-6-[(4-cyanophenyl)methylamino]quinoline-3-carbonitrile is N#Cc1ccc(CNc2ccc3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)cc1.
What is the InChIKey of 4-(3-chloro-4-fluoroanilino)-6-[(4-cyanophenyl)methylamino]quinoline-3-carbonitrile?
The InChIKey is SVLVGUIJJIZQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClFN5/c25-21-10-19(5-7-22(21)26)31-24-17(12-28)14-30-23-8-6-18(9-20(23)24)29-13-16-3-1-15(11-27)2-4-16/h1-10,14,29H,13H2,(H,30,31).
What are the key properties of 4-(3-chloro-4-fluoroanilino)-6-[(4-cyanophenyl)methylamino]quinoline-3-carbonitrile?
4-(3-chloro-4-fluoroanilino)-6-[(4-cyanophenyl)methylamino]quinoline-3-carbonitrile has a molecular weight of 427.87 g/mol, XLogP of 6.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluoroanilino)-6-[(4-cyanophenyl)methylamino]quinoline-3-carbonitrile is sourced from PubChem (CID 69258656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).