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

C17H18BrN3S — CID 3285102

IUPAC2-amino-4-(4-bromothiophen-2-yl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCCCC1CCc2nc(N)c(C#N)c(-c3cc(Br)cs3)c2C1
InChIInChI=1S/C17H18BrN3S/c1-2-3-10-4-5-14-12(6-10)16(13(8-19)17(20)21-14)15-7-11(18)9-22-15/h7,9-10H,2-6H2,1H3,(H2,20,21)
InChIKeyHPNCUUGMRPUWAS-UHFFFAOYSA-N
MW376.32 g/mol
LogP4.93
Rot. Bonds3

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

2-amino-4-(4-bromothiophen-2-yl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 3285102) has the molecular formula C17H18BrN3S and a molecular weight of 376.32 g/mol. Its IUPAC name is 2-amino-4-(4-bromothiophen-2-yl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-bromothiophen-2-yl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID3285102
Molecular FormulaC17H18BrN3S
Molecular Weight376.32 g/mol
Exact Mass375.04
IUPAC Name2-amino-4-(4-bromothiophen-2-yl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCCCC1CCc2nc(N)c(C#N)c(-c3cc(Br)cs3)c2C1
InChIInChI=1S/C17H18BrN3S/c1-2-3-10-4-5-14-12(6-10)16(13(8-19)17(20)21-14)15-7-11(18)9-22-15/h7,9-10H,2-6H2,1H3,(H2,20,21)
InChIKeyHPNCUUGMRPUWAS-UHFFFAOYSA-N
XLogP4.93
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(2-ethoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3277774
2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3274886
(6R)-2,6-diamino-4-[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 95557092
(6S)-2,6-diamino-4-[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 95557091
2-amino-4-(4-heptoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3277776
2-amino-4-(3-bromo-4-fluorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3253007
2-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 5197809
2-amino-6-ethyl-4-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3252807
2-amino-4-(2,3-dichlorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3255832
2-amino-4-(4-bromothiophen-2-yl)-5-ethyl-6-phenylpyridine-3-carbonitrile
CID 5208158

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-bromothiophen-2-yl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-bromothiophen-2-yl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 3285102) is 2-amino-4-(4-bromothiophen-2-yl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-bromothiophen-2-yl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-bromothiophen-2-yl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is CCCC1CCc2nc(N)c(C#N)c(-c3cc(Br)cs3)c2C1.
What is the InChIKey of 2-amino-4-(4-bromothiophen-2-yl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is HPNCUUGMRPUWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3S/c1-2-3-10-4-5-14-12(6-10)16(13(8-19)17(20)21-14)15-7-11(18)9-22-15/h7,9-10H,2-6H2,1H3,(H2,20,21).
What are the key properties of 2-amino-4-(4-bromothiophen-2-yl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-4-(4-bromothiophen-2-yl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 376.32 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-bromothiophen-2-yl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 3285102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).