6-chloro-4-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoline-3-carbonitrile

C19H16ClN3O — CID 133434869

IUPAC6-chloro-4-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(Cl)cc2c1NCCc1ccc(CO)cc1
InChIInChI=1S/C19H16ClN3O/c20-16-5-6-18-17(9-16)19(15(10-21)11-23-18)22-8-7-13-1-3-14(12-24)4-2-13/h1-6,9,11,24H,7-8,12H2,(H,22,23)
InChIKeyGWLOCWANJLZDLD-UHFFFAOYSA-N
MW337.81 g/mol
LogP3.91
Rot. Bonds5

About 6-chloro-4-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoline-3-carbonitrile

6-chloro-4-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoline-3-carbonitrile (PubChem CID 133434869) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is 6-chloro-4-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoline-3-carbonitrile
PubChem CID133434869
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name6-chloro-4-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(Cl)cc2c1NCCc1ccc(CO)cc1
InChIInChI=1S/C19H16ClN3O/c20-16-5-6-18-17(9-16)19(15(10-21)11-23-18)22-8-7-13-1-3-14(12-24)4-2-13/h1-6,9,11,24H,7-8,12H2,(H,22,23)
InChIKeyGWLOCWANJLZDLD-UHFFFAOYSA-N
XLogP3.91
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzylamino)-6-chloroquinoline-3-carbonitrile
CID 27371495
6-chloro-4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile;hydrochloride
CID 71779770
4-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-cyclopropylbutanamide
CID 133317003
6-chloro-4-[(2-hydroxy-2,3-dimethylpentyl)amino]quinoline-3-carbonitrile
CID 133352675
6-(5-hydroxy-3-pyridinyl)-4-(2-phenylethylamino)quinoline-3-carbonitrile
CID 170565419
6-chloro-4-(2-thiomorpholin-4-ylsulfonylethylamino)quinoline-3-carbonitrile
CID 133320646
2-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-(cyclopropylmethyl)acetamide
CID 133441762
6-chloro-4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-3-carbonitrile
CID 133316765
6-chloro-4-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methylamino]quinoline-3-carbonitrile
CID 133318327
6-chloro-4-(4-methylanilino)quinoline-3-carbonitrile
CID 50768417
6-chloro-4-(4-fluoroanilino)quinoline-3-carbonitrile
CID 50768733
6-chloro-4-[(2-piperidin-1-yl-4-pyridinyl)methylamino]quinoline-3-carbonitrile
CID 133318351

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoline-3-carbonitrile?
The IUPAC name of 6-chloro-4-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoline-3-carbonitrile (CID 133434869) is 6-chloro-4-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoline-3-carbonitrile.
What is the SMILES notation for 6-chloro-4-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoline-3-carbonitrile?
The canonical SMILES for 6-chloro-4-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoline-3-carbonitrile is N#Cc1cnc2ccc(Cl)cc2c1NCCc1ccc(CO)cc1.
What is the InChIKey of 6-chloro-4-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoline-3-carbonitrile?
The InChIKey is GWLOCWANJLZDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O/c20-16-5-6-18-17(9-16)19(15(10-21)11-23-18)22-8-7-13-1-3-14(12-24)4-2-13/h1-6,9,11,24H,7-8,12H2,(H,22,23).
What are the key properties of 6-chloro-4-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoline-3-carbonitrile?
6-chloro-4-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoline-3-carbonitrile has a molecular weight of 337.81 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoline-3-carbonitrile is sourced from PubChem (CID 133434869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).