4-(3-chloro-4-fluoroanilino)-6-ethylquinoline-3-carbonitrile;hydrochloride

C18H14Cl2FN3 — CID 45283835

IUPAC4-(3-chloro-4-fluoroanilino)-6-ethylquinoline-3-carbonitrile;hydrochloride
SMILESCCc1ccc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1.Cl
InChIInChI=1S/C18H13ClFN3.ClH/c1-2-11-3-6-17-14(7-11)18(12(9-21)10-22-17)23-13-4-5-16(20)15(19)8-13;/h3-8,10H,2H2,1H3,(H,22,23);1H
InChIKeyOKQPMEXSDFXOCR-UHFFFAOYSA-N
MW362.24 g/mol
LogP5.63
Rot. Bonds3

About 4-(3-chloro-4-fluoroanilino)-6-ethylquinoline-3-carbonitrile;hydrochloride

4-(3-chloro-4-fluoroanilino)-6-ethylquinoline-3-carbonitrile;hydrochloride (PubChem CID 45283835) has the molecular formula C18H14Cl2FN3 and a molecular weight of 362.24 g/mol. Its IUPAC name is 4-(3-chloro-4-fluoroanilino)-6-ethylquinoline-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4-(3-chloro-4-fluoroanilino)-6-ethylquinoline-3-carbonitrile;hydrochloride
PubChem CID45283835
Molecular FormulaC18H14Cl2FN3
Molecular Weight362.24 g/mol
Exact Mass361.05
IUPAC Name4-(3-chloro-4-fluoroanilino)-6-ethylquinoline-3-carbonitrile;hydrochloride
SMILESCCc1ccc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1.Cl
InChIInChI=1S/C18H13ClFN3.ClH/c1-2-11-3-6-17-14(7-11)18(12(9-21)10-22-17)23-13-4-5-16(20)15(19)8-13;/h3-8,10H,2H2,1H3,(H,22,23);1H
InChIKeyOKQPMEXSDFXOCR-UHFFFAOYSA-N
XLogP5.63
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.24
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-4-fluoroanilino)-6-ethoxyquinoline-3-carbonitrile
CID 27655777
4-(3-chloro-4-fluoroanilino)-6-[(4-cyanophenyl)methylamino]quinoline-3-carbonitrile
CID 69258656
6-ethyl-4-(3-methoxyanilino)quinoline-3-carbonitrile;hydrochloride
CID 146055704
6-chloro-4-(4-fluoroanilino)quinoline-3-carbonitrile
CID 50768733
6-ethyl-4-hydrazinylquinoline-3-carbonitrile
CID 62251966
6-chloro-4-(4-methylanilino)quinoline-3-carbonitrile
CID 50768417
4-(4-ethylanilino)-6-methoxyquinoline-3-carbonitrile
CID 50768454
N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]-2-(dimethylamino)but-2-enamide
CID 141032657
4-(3-chloro-4-fluoroanilino)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-3-carbonitrile
CID 166596616
4-(3-chloro-4-fluoroanilino)-7-methyl-6-(pyridin-3-ylmethylamino)quinoline-3-carbonitrile
CID 69259031
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

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluoroanilino)-6-ethylquinoline-3-carbonitrile;hydrochloride?
The IUPAC name of 4-(3-chloro-4-fluoroanilino)-6-ethylquinoline-3-carbonitrile;hydrochloride (CID 45283835) is 4-(3-chloro-4-fluoroanilino)-6-ethylquinoline-3-carbonitrile;hydrochloride.
What is the SMILES notation for 4-(3-chloro-4-fluoroanilino)-6-ethylquinoline-3-carbonitrile;hydrochloride?
The canonical SMILES for 4-(3-chloro-4-fluoroanilino)-6-ethylquinoline-3-carbonitrile;hydrochloride is CCc1ccc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1.Cl.
What is the InChIKey of 4-(3-chloro-4-fluoroanilino)-6-ethylquinoline-3-carbonitrile;hydrochloride?
The InChIKey is OKQPMEXSDFXOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3.ClH/c1-2-11-3-6-17-14(7-11)18(12(9-21)10-22-17)23-13-4-5-16(20)15(19)8-13;/h3-8,10H,2H2,1H3,(H,22,23);1H.
What are the key properties of 4-(3-chloro-4-fluoroanilino)-6-ethylquinoline-3-carbonitrile;hydrochloride?
4-(3-chloro-4-fluoroanilino)-6-ethylquinoline-3-carbonitrile;hydrochloride has a molecular weight of 362.24 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluoroanilino)-6-ethylquinoline-3-carbonitrile;hydrochloride is sourced from PubChem (CID 45283835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).