6-(5-hydroxy-3-pyridinyl)-4-(2-phenylethylamino)quinoline-3-carbonitrile

C23H18N4O — CID 170565419

IUPAC6-(5-hydroxy-3-pyridinyl)-4-(2-phenylethylamino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(-c3cncc(O)c3)cc2c1NCCc1ccccc1
InChIInChI=1S/C23H18N4O/c24-12-19-14-27-22-7-6-17(18-10-20(28)15-25-13-18)11-21(22)23(19)26-9-8-16-4-2-1-3-5-16/h1-7,10-11,13-15,28H,8-9H2,(H,26,27)
InChIKeyTYXQWHVBYNJPKW-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.53
Rot. Bonds5

About 6-(5-hydroxy-3-pyridinyl)-4-(2-phenylethylamino)quinoline-3-carbonitrile

6-(5-hydroxy-3-pyridinyl)-4-(2-phenylethylamino)quinoline-3-carbonitrile (PubChem CID 170565419) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 6-(5-hydroxy-3-pyridinyl)-4-(2-phenylethylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-(5-hydroxy-3-pyridinyl)-4-(2-phenylethylamino)quinoline-3-carbonitrile
PubChem CID170565419
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name6-(5-hydroxy-3-pyridinyl)-4-(2-phenylethylamino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(-c3cncc(O)c3)cc2c1NCCc1ccccc1
InChIInChI=1S/C23H18N4O/c24-12-19-14-27-22-7-6-17(18-10-20(28)15-25-13-18)11-21(22)23(19)26-9-8-16-4-2-1-3-5-16/h1-7,10-11,13-15,28H,8-9H2,(H,26,27)
InChIKeyTYXQWHVBYNJPKW-UHFFFAOYSA-N
XLogP4.53
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(5-hydroxy-3-pyridinyl)-4-(1-phenylethylamino)quinoline-3-carbonitrile
CID 164556546
6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-4-(2-phenylethylamino)quinoline-3-carbonitrile
CID 175505841
6-chloro-4-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoline-3-carbonitrile
CID 133434869
4-(benzylamino)-6-chloroquinoline-3-carbonitrile
CID 27371495
4-[2-(1-methylpyrazol-4-yl)ethylamino]quinoline-3-carbonitrile
CID 80684252
4-(3-hydroxypropylamino)quinoline-3-carbonitrile
CID 43668972
4-[2-(4-ethylphenyl)ethylamino]-1,7-naphthyridine-3-carbonitrile
CID 166360530
4-(propylamino)quinoline-3-carbonitrile
CID 43668866
6-[3-(hydroxymethyl)phenyl]-4-(4-pyridin-4-yloxyanilino)quinoline-3-carbonitrile
CID 121416243
6-bromo-4-(propylamino)quinoline-3-carbonitrile
CID 62190068
N-[2-chloro-5-[3-cyano-4-[(3-fluorophenyl)methylamino]quinolin-6-yl]-3-pyridinyl]methanesulfonamide
CID 171341562
4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]quinoline-3-carbonitrile
CID 107489421

Frequently Asked Questions

What is the IUPAC name of 6-(5-hydroxy-3-pyridinyl)-4-(2-phenylethylamino)quinoline-3-carbonitrile?
The IUPAC name of 6-(5-hydroxy-3-pyridinyl)-4-(2-phenylethylamino)quinoline-3-carbonitrile (CID 170565419) is 6-(5-hydroxy-3-pyridinyl)-4-(2-phenylethylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 6-(5-hydroxy-3-pyridinyl)-4-(2-phenylethylamino)quinoline-3-carbonitrile?
The canonical SMILES for 6-(5-hydroxy-3-pyridinyl)-4-(2-phenylethylamino)quinoline-3-carbonitrile is N#Cc1cnc2ccc(-c3cncc(O)c3)cc2c1NCCc1ccccc1.
What is the InChIKey of 6-(5-hydroxy-3-pyridinyl)-4-(2-phenylethylamino)quinoline-3-carbonitrile?
The InChIKey is TYXQWHVBYNJPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c24-12-19-14-27-22-7-6-17(18-10-20(28)15-25-13-18)11-21(22)23(19)26-9-8-16-4-2-1-3-5-16/h1-7,10-11,13-15,28H,8-9H2,(H,26,27).
What are the key properties of 6-(5-hydroxy-3-pyridinyl)-4-(2-phenylethylamino)quinoline-3-carbonitrile?
6-(5-hydroxy-3-pyridinyl)-4-(2-phenylethylamino)quinoline-3-carbonitrile has a molecular weight of 366.42 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-hydroxy-3-pyridinyl)-4-(2-phenylethylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 170565419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).