6-amino-8-chloro-4-[(3-fluoro-1-phenylpropyl)amino]quinoline-3-carbonitrile

C19H16ClFN4 — CID 145229955

IUPAC6-amino-8-chloro-4-[(3-fluoro-1-phenylpropyl)amino]quinoline-3-carbonitrile
SMILESN#Cc1cnc2c(Cl)cc(N)cc2c1NC(CCF)c1ccccc1
InChIInChI=1S/C19H16ClFN4/c20-16-9-14(23)8-15-18(13(10-22)11-24-19(15)16)25-17(6-7-21)12-4-2-1-3-5-12/h1-5,8-9,11,17H,6-7,23H2,(H,24,25)
InChIKeyZTWVXQOEOPSLEN-UHFFFAOYSA-N
MW354.82 g/mol
LogP4.85
Rot. Bonds5

About 6-amino-8-chloro-4-[(3-fluoro-1-phenylpropyl)amino]quinoline-3-carbonitrile

6-amino-8-chloro-4-[(3-fluoro-1-phenylpropyl)amino]quinoline-3-carbonitrile (PubChem CID 145229955) has the molecular formula C19H16ClFN4 and a molecular weight of 354.82 g/mol. Its IUPAC name is 6-amino-8-chloro-4-[(3-fluoro-1-phenylpropyl)amino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-amino-8-chloro-4-[(3-fluoro-1-phenylpropyl)amino]quinoline-3-carbonitrile
PubChem CID145229955
Molecular FormulaC19H16ClFN4
Molecular Weight354.82 g/mol
Exact Mass354.10
IUPAC Name6-amino-8-chloro-4-[(3-fluoro-1-phenylpropyl)amino]quinoline-3-carbonitrile
SMILESN#Cc1cnc2c(Cl)cc(N)cc2c1NC(CCF)c1ccccc1
InChIInChI=1S/C19H16ClFN4/c20-16-9-14(23)8-15-18(13(10-22)11-24-19(15)16)25-17(6-7-21)12-4-2-1-3-5-12/h1-5,8-9,11,17H,6-7,23H2,(H,24,25)
InChIKeyZTWVXQOEOPSLEN-UHFFFAOYSA-N
XLogP4.85
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

8-chloro-4-[(3-methylsulfanyloxy-1-phenylpropyl)amino]-6-nitroquinoline-3-carbonitrile
CID 145229893
6-amino-8-chloro-4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile
CID 170984882
6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile
CID 141161285
8-chloro-4-[[(1R)-2-hydroxy-1-phenylethyl]amino]-6-[[1H-pyrrol-3-yl(2H-triazol-4-yl)methyl]amino]quinoline-3-carbonitrile
CID 166646266
8-chloro-4-[(4-cyano-1-phenylbutyl)amino]-6-[[(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(4-fluorophenyl)methyl]amino]quinoline-3-carbonitrile
CID 140819449
6-chloro-4-[[(1R)-1-phenylpropyl]amino]-8-[[phenyl(2H-triazol-4-yl)methyl]amino]quinoline-3-carbonitrile
CID 155314288
8-chloro-6-[[(S)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]-4-[[(1R)-1-phenylpent-4-ynyl]amino]quinoline-3-carbonitrile
CID 158784343
8-chloro-6-[[(Z,1S,2E)-1-(2,3-dihydro-1H-triazol-4-yl)-2-[1-(methylideneamino)ethylidene]pent-3-enyl]amino]-4-[[(1S)-2-hydroxy-1-phenylethyl]amino]quinoline-3-carbonitrile
CID 166653830
8-chloro-6-[[(S)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-deuterio-(4-fluorophenyl)methyl]amino]-4-[[(1S)-2-methylsulfonyl-1-phenylethyl]amino]quinoline-3-carbonitrile
CID 140819257
8-chloro-6-[[(S)-(3-cyclopropyl-1,2-dihydrotriazol-5-yl)-(2-methyl-3-pyridinyl)methyl]amino]-4-[[(1R)-1-phenylpent-4-ynyl]amino]quinoline-3-carbonitrile
CID 157249206
8-chloro-6-[[(Z,3R)-4-methylidene-7-methyliminohept-5-en-1-yn-3-yl]amino]-4-[[(1R)-1-phenylpropyl]amino]quinoline-3-carbonitrile
CID 146559091
6-[[(1-tert-butyltriazol-4-yl)-deuterio-(6-fluoro-3-pyridinyl)methyl]amino]-8-chloro-4-(1-phenylpropylamino)quinoline-3-carbonitrile
CID 134197239

Frequently Asked Questions

What is the IUPAC name of 6-amino-8-chloro-4-[(3-fluoro-1-phenylpropyl)amino]quinoline-3-carbonitrile?
The IUPAC name of 6-amino-8-chloro-4-[(3-fluoro-1-phenylpropyl)amino]quinoline-3-carbonitrile (CID 145229955) is 6-amino-8-chloro-4-[(3-fluoro-1-phenylpropyl)amino]quinoline-3-carbonitrile.
What is the SMILES notation for 6-amino-8-chloro-4-[(3-fluoro-1-phenylpropyl)amino]quinoline-3-carbonitrile?
The canonical SMILES for 6-amino-8-chloro-4-[(3-fluoro-1-phenylpropyl)amino]quinoline-3-carbonitrile is N#Cc1cnc2c(Cl)cc(N)cc2c1NC(CCF)c1ccccc1.
What is the InChIKey of 6-amino-8-chloro-4-[(3-fluoro-1-phenylpropyl)amino]quinoline-3-carbonitrile?
The InChIKey is ZTWVXQOEOPSLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4/c20-16-9-14(23)8-15-18(13(10-22)11-24-19(15)16)25-17(6-7-21)12-4-2-1-3-5-12/h1-5,8-9,11,17H,6-7,23H2,(H,24,25).
What are the key properties of 6-amino-8-chloro-4-[(3-fluoro-1-phenylpropyl)amino]quinoline-3-carbonitrile?
6-amino-8-chloro-4-[(3-fluoro-1-phenylpropyl)amino]quinoline-3-carbonitrile has a molecular weight of 354.82 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8-chloro-4-[(3-fluoro-1-phenylpropyl)amino]quinoline-3-carbonitrile is sourced from PubChem (CID 145229955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).