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

C21H25N3 — CID 3277965

IUPAC2-amino-4-(4-ethylphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCCCC1CCc2nc(N)c(C#N)c(-c3ccc(CC)cc3)c2C1
InChIInChI=1S/C21H25N3/c1-3-5-15-8-11-19-17(12-15)20(18(13-22)21(23)24-19)16-9-6-14(4-2)7-10-16/h6-7,9-10,15H,3-5,8,11-12H2,1-2H3,(H2,23,24)
InChIKeyBGFRKTLXUCQFRA-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.67
Rot. Bonds4

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

2-amino-4-(4-ethylphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 3277965) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-amino-4-(4-ethylphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-ethylphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID3277965
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC Name2-amino-4-(4-ethylphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCCCC1CCc2nc(N)c(C#N)c(-c3ccc(CC)cc3)c2C1
InChIInChI=1S/C21H25N3/c1-3-5-15-8-11-19-17(12-15)20(18(13-22)21(23)24-19)16-9-6-14(4-2)7-10-16/h6-7,9-10,15H,3-5,8,11-12H2,1-2H3,(H2,23,24)
InChIKeyBGFRKTLXUCQFRA-UHFFFAOYSA-N
XLogP4.67
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(4-heptoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3277776
2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3274886
2-amino-6-ethyl-4-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3252807
2-amino-4-(4-ethylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 4636171
2-amino-4-(4-bromothiophen-2-yl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3285102
2-amino-4-(3-methylthiophen-2-yl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3285100
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-cyanophenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 5192069
(6S)-2-amino-4-(4-fluorophenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 728885
methyl 4-[(6R)-2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl]benzoate
CID 7731997

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-ethylphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-ethylphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 3277965) is 2-amino-4-(4-ethylphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-ethylphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-ethylphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is CCCC1CCc2nc(N)c(C#N)c(-c3ccc(CC)cc3)c2C1.
What is the InChIKey of 2-amino-4-(4-ethylphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is BGFRKTLXUCQFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-3-5-15-8-11-19-17(12-15)20(18(13-22)21(23)24-19)16-9-6-14(4-2)7-10-16/h6-7,9-10,15H,3-5,8,11-12H2,1-2H3,(H2,23,24).
What are the key properties of 2-amino-4-(4-ethylphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-4-(4-ethylphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 319.45 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-ethylphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 3277965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).