2-amino-4-(2,3-dichlorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C18H17Cl2N3 — CID 3255832

IUPAC2-amino-4-(2,3-dichlorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCCC1CCc2nc(N)c(C#N)c(-c3cccc(Cl)c3Cl)c2C1
InChIInChI=1S/C18H17Cl2N3/c1-2-10-6-7-15-12(8-10)16(13(9-21)18(22)23-15)11-4-3-5-14(19)17(11)20/h3-5,10H,2,6-8H2,1H3,(H2,22,23)
InChIKeyGLIQHXSTSXCGIP-UHFFFAOYSA-N
MW346.26 g/mol
LogP5.02
Rot. Bonds2

About 2-amino-4-(2,3-dichlorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-amino-4-(2,3-dichlorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 3255832) has the molecular formula C18H17Cl2N3 and a molecular weight of 346.26 g/mol. Its IUPAC name is 2-amino-4-(2,3-dichlorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2,3-dichlorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID3255832
Molecular FormulaC18H17Cl2N3
Molecular Weight346.26 g/mol
Exact Mass345.08
IUPAC Name2-amino-4-(2,3-dichlorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCCC1CCc2nc(N)c(C#N)c(-c3cccc(Cl)c3Cl)c2C1
InChIInChI=1S/C18H17Cl2N3/c1-2-10-6-7-15-12(8-10)16(13(9-21)18(22)23-15)11-4-3-5-14(19)17(11)20/h3-5,10H,2,6-8H2,1H3,(H2,22,23)
InChIKeyGLIQHXSTSXCGIP-UHFFFAOYSA-N
XLogP5.02
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.26
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-4-(2,3-dichlorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile with MolForge

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Related Compounds

2-amino-6-ethyl-4-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3252807
2-amino-4-(2-chloro-5-nitrophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3255837
2-amino-6-ethyl-4-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3255838
2-amino-4-(2-ethoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3277774
2-amino-4-(3-bromo-4-fluorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3253007
2-amino-4-(4-ethylphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3277965
2-chloro-4-(2-chlorophenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 102548952
2-amino-6-tert-butyl-4-(2-ethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3264424
2-amino-4-(4-cyanophenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 5192069
2,6-diamino-4-(4-chloro-1-methylindazol-3-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 56877753
2-amino-4-(3-methylthiophen-2-yl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3285100
(6S)-2-amino-4-(4-fluorophenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 728885

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,3-dichlorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(2,3-dichlorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 3255832) is 2-amino-4-(2,3-dichlorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2,3-dichlorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2,3-dichlorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is CCC1CCc2nc(N)c(C#N)c(-c3cccc(Cl)c3Cl)c2C1.
What is the InChIKey of 2-amino-4-(2,3-dichlorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is GLIQHXSTSXCGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3/c1-2-10-6-7-15-12(8-10)16(13(9-21)18(22)23-15)11-4-3-5-14(19)17(11)20/h3-5,10H,2,6-8H2,1H3,(H2,22,23).
What are the key properties of 2-amino-4-(2,3-dichlorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-4-(2,3-dichlorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 346.26 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,3-dichlorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 3255832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).