2-amino-4-(2-ethoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C21H25N3O — CID 3277774

IUPAC2-amino-4-(2-ethoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCCCC1CCc2nc(N)c(C#N)c(-c3ccccc3OCC)c2C1
InChIInChI=1S/C21H25N3O/c1-3-7-14-10-11-18-16(12-14)20(17(13-22)21(23)24-18)15-8-5-6-9-19(15)25-4-2/h5-6,8-9,14H,3-4,7,10-12H2,1-2H3,(H2,23,24)
InChIKeyZZLUUHNNBMBNGY-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.51
Rot. Bonds5

About 2-amino-4-(2-ethoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-amino-4-(2-ethoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 3277774) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-amino-4-(2-ethoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-ethoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID3277774
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2-amino-4-(2-ethoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCCCC1CCc2nc(N)c(C#N)c(-c3ccccc3OCC)c2C1
InChIInChI=1S/C21H25N3O/c1-3-7-14-10-11-18-16(12-14)20(17(13-22)21(23)24-18)15-8-5-6-9-19(15)25-4-2/h5-6,8-9,14H,3-4,7,10-12H2,1-2H3,(H2,23,24)
InChIKeyZZLUUHNNBMBNGY-UHFFFAOYSA-N
XLogP4.51
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-tert-butyl-4-(2-ethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3264424
2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3274886
2-amino-4-(4-ethylphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3277965
2-amino-4-(3-methylthiophen-2-yl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3285100
2-amino-4-(4-heptoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3277776
2-amino-4-(4-bromothiophen-2-yl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3285102
2-amino-4-(2,3-dichlorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3255832
2-amino-6-ethyl-4-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3252807
2-[2-(2-amino-3-cyano-6-ethoxycarbonyl-7,8-dihydro-5H-1,6-naphthyridin-4-yl)phenoxy]acetic acid
CID 171388136
2-amino-6-methyl-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 5197805
2-amino-6-phenyl-4-(4-propoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3290835
2-amino-4-(2-chloro-5-nitrophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3255837

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-ethoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-ethoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 3277774) is 2-amino-4-(2-ethoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-ethoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-ethoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is CCCC1CCc2nc(N)c(C#N)c(-c3ccccc3OCC)c2C1.
What is the InChIKey of 2-amino-4-(2-ethoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is ZZLUUHNNBMBNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-3-7-14-10-11-18-16(12-14)20(17(13-22)21(23)24-18)15-8-5-6-9-19(15)25-4-2/h5-6,8-9,14H,3-4,7,10-12H2,1-2H3,(H2,23,24).
What are the key properties of 2-amino-4-(2-ethoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-4-(2-ethoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 335.45 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-ethoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 3277774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).