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

C18H17BrFN3 — CID 3253007

IUPAC2-amino-4-(3-bromo-4-fluorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCCC1CCc2nc(N)c(C#N)c(-c3ccc(F)c(Br)c3)c2C1
InChIInChI=1S/C18H17BrFN3/c1-2-10-3-6-16-12(7-10)17(13(9-21)18(22)23-16)11-4-5-15(20)14(19)8-11/h4-5,8,10H,2-3,6-7H2,1H3,(H2,22,23)
InChIKeyVCSQBCLCJBFORT-UHFFFAOYSA-N
MW374.26 g/mol
LogP4.62
Rot. Bonds2

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

2-amino-4-(3-bromo-4-fluorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 3253007) has the molecular formula C18H17BrFN3 and a molecular weight of 374.26 g/mol. Its IUPAC name is 2-amino-4-(3-bromo-4-fluorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-bromo-4-fluorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID3253007
Molecular FormulaC18H17BrFN3
Molecular Weight374.26 g/mol
Exact Mass373.06
IUPAC Name2-amino-4-(3-bromo-4-fluorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCCC1CCc2nc(N)c(C#N)c(-c3ccc(F)c(Br)c3)c2C1
InChIInChI=1S/C18H17BrFN3/c1-2-10-3-6-16-12(7-10)17(13(9-21)18(22)23-16)11-4-5-15(20)14(19)8-11/h4-5,8,10H,2-3,6-7H2,1H3,(H2,22,23)
InChIKeyVCSQBCLCJBFORT-UHFFFAOYSA-N
XLogP4.62
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-6-ethyl-4-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3252807
2-amino-6-ethyl-4-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3255838
2-amino-4-(4-ethylphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3277965
(6S)-2-amino-4-(4-fluorophenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 728885
2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3274886
2-amino-4-(2,3-dichlorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3255832
2-amino-4-(4-heptoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3277776
2-amino-4-(2-chloro-5-nitrophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3255837
2-amino-4-(4-cyanophenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 5192069
2-amino-4-(4-bromothiophen-2-yl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3285102
2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3116798
2,6-diamino-4-(2,1,3-benzothiadiazol-5-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 56861076

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-bromo-4-fluorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-bromo-4-fluorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 3253007) is 2-amino-4-(3-bromo-4-fluorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-bromo-4-fluorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-bromo-4-fluorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is CCC1CCc2nc(N)c(C#N)c(-c3ccc(F)c(Br)c3)c2C1.
What is the InChIKey of 2-amino-4-(3-bromo-4-fluorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is VCSQBCLCJBFORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrFN3/c1-2-10-3-6-16-12(7-10)17(13(9-21)18(22)23-16)11-4-5-15(20)14(19)8-11/h4-5,8,10H,2-3,6-7H2,1H3,(H2,22,23).
What are the key properties of 2-amino-4-(3-bromo-4-fluorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-4-(3-bromo-4-fluorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 374.26 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-bromo-4-fluorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 3253007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).