2-(4-cyanophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C24H19N3O — CID 16723952

IUPAC2-(4-cyanophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCOc1ccc(-c2c(C#N)c(-c3ccc(C#N)cc3)nc3c2CCCC3)cc1
InChIInChI=1S/C24H19N3O/c1-28-19-12-10-17(11-13-19)23-20-4-2-3-5-22(20)27-24(21(23)15-26)18-8-6-16(14-25)7-9-18/h6-13H,2-5H2,1H3
InChIKeyHPQSDYOOTCSQJH-UHFFFAOYSA-N
MW365.44 g/mol
LogP5.05
Rot. Bonds3

About 2-(4-cyanophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-(4-cyanophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 16723952) has the molecular formula C24H19N3O and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(4-cyanophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID16723952
Molecular FormulaC24H19N3O
Molecular Weight365.44 g/mol
Exact Mass365.15
IUPAC Name2-(4-cyanophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCOc1ccc(-c2c(C#N)c(-c3ccc(C#N)cc3)nc3c2CCCC3)cc1
InChIInChI=1S/C24H19N3O/c1-28-19-12-10-17(11-13-19)23-20-4-2-3-5-22(20)27-24(21(23)15-26)18-8-6-16(14-25)7-9-18/h6-13H,2-5H2,1H3
InChIKeyHPQSDYOOTCSQJH-UHFFFAOYSA-N
XLogP5.05
TPSA69.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.44
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile
CID 783110
4-(4-methoxyphenyl)-2-(3-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 56933964
2-amino-4-(4-ethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 4636159
2-amino-4-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4635461
2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 127046652
2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 23968911
3-amino-1-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
CID 23823826
2-(3-fluorophenyl)-4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 122525972
4-methoxy(13C)benzonitrile
CID 175991125
4-(4-chlorophenyl)-2-(methylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 56933567
2-amino-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 662688
2-amino-4-(2,5-dimethoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
CID 5156796

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-(4-cyanophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 16723952) is 2-(4-cyanophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-(4-cyanophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-(4-cyanophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is COc1ccc(-c2c(C#N)c(-c3ccc(C#N)cc3)nc3c2CCCC3)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is HPQSDYOOTCSQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O/c1-28-19-12-10-17(11-13-19)23-20-4-2-3-5-22(20)27-24(21(23)15-26)18-8-6-16(14-25)7-9-18/h6-13H,2-5H2,1H3.
What are the key properties of 2-(4-cyanophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-(4-cyanophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 365.44 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 16723952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).