5-oxo-2-(2-phenylethyl)-7,8-dihydro-6H-quinoline-3-carbonitrile

C18H16N2O — CID 142685079

IUPAC5-oxo-2-(2-phenylethyl)-7,8-dihydro-6H-quinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1CCc1ccccc1)CCCC2=O
InChIInChI=1S/C18H16N2O/c19-12-14-11-15-17(7-4-8-18(15)21)20-16(14)10-9-13-5-2-1-3-6-13/h1-3,5-6,11H,4,7-10H2
InChIKeyCSECFWDUBAINMH-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.26
Rot. Bonds3

About 5-oxo-2-(2-phenylethyl)-7,8-dihydro-6H-quinoline-3-carbonitrile

5-oxo-2-(2-phenylethyl)-7,8-dihydro-6H-quinoline-3-carbonitrile (PubChem CID 142685079) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-oxo-2-(2-phenylethyl)-7,8-dihydro-6H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name5-oxo-2-(2-phenylethyl)-7,8-dihydro-6H-quinoline-3-carbonitrile
PubChem CID142685079
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name5-oxo-2-(2-phenylethyl)-7,8-dihydro-6H-quinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1CCc1ccccc1)CCCC2=O
InChIInChI=1S/C18H16N2O/c19-12-14-11-15-17(7-4-8-18(15)21)20-16(14)10-9-13-5-2-1-3-6-13/h1-3,5-6,11H,4,7-10H2
InChIKeyCSECFWDUBAINMH-UHFFFAOYSA-N
XLogP3.26
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methylsulfanyl]-5-oxo-7,8-dihydro-6H-quinoline-3-carbonitrile
CID 700030
2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-5-oxo-7,8-dihydro-6H-quinoline-3-carbonitrile
CID 23614203
3,4-dihydro-2H-acridin-1-one;dihydrochloride
CID 142633980
2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 23614209
propan-2-yl 2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetate
CID 23614208
3-amino-2-(2-hydroxyphenyl)-7,8-dihydro-6H-quinolin-5-one
CID 135604529
3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one
CID 67510438
2-benzylsulfinyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1160045
4-oxo-1-(2-phenylethyl)-6,7-dihydro-5H-indazole-3-carbonitrile
CID 82591124
3-methyl-2-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one
CID 141011928
3-amino-2-benzoyl-7,8-dihydro-6H-thieno[2,3-b]quinolin-5-one
CID 797561
2-phenacylsulfanyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
CID 571182

Frequently Asked Questions

What is the IUPAC name of 5-oxo-2-(2-phenylethyl)-7,8-dihydro-6H-quinoline-3-carbonitrile?
The IUPAC name of 5-oxo-2-(2-phenylethyl)-7,8-dihydro-6H-quinoline-3-carbonitrile (CID 142685079) is 5-oxo-2-(2-phenylethyl)-7,8-dihydro-6H-quinoline-3-carbonitrile.
What is the SMILES notation for 5-oxo-2-(2-phenylethyl)-7,8-dihydro-6H-quinoline-3-carbonitrile?
The canonical SMILES for 5-oxo-2-(2-phenylethyl)-7,8-dihydro-6H-quinoline-3-carbonitrile is N#Cc1cc2c(nc1CCc1ccccc1)CCCC2=O.
What is the InChIKey of 5-oxo-2-(2-phenylethyl)-7,8-dihydro-6H-quinoline-3-carbonitrile?
The InChIKey is CSECFWDUBAINMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c19-12-14-11-15-17(7-4-8-18(15)21)20-16(14)10-9-13-5-2-1-3-6-13/h1-3,5-6,11H,4,7-10H2.
What are the key properties of 5-oxo-2-(2-phenylethyl)-7,8-dihydro-6H-quinoline-3-carbonitrile?
5-oxo-2-(2-phenylethyl)-7,8-dihydro-6H-quinoline-3-carbonitrile has a molecular weight of 276.34 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2-(2-phenylethyl)-7,8-dihydro-6H-quinoline-3-carbonitrile is sourced from PubChem (CID 142685079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).