2-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C15H15N3S — CID 5197809

IUPAC2-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCC1CCc2nc(N)c(C#N)c(-c3cccs3)c2C1
InChIInChI=1S/C15H15N3S/c1-9-4-5-12-10(7-9)14(13-3-2-6-19-13)11(8-16)15(17)18-12/h2-3,6,9H,4-5,7H2,1H3,(H2,17,18)
InChIKeyBZDMKHGZPYYXBT-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.39
Rot. Bonds1

About 2-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 5197809) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID5197809
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name2-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCC1CCc2nc(N)c(C#N)c(-c3cccs3)c2C1
InChIInChI=1S/C15H15N3S/c1-9-4-5-12-10(7-9)14(13-3-2-6-19-13)11(8-16)15(17)18-12/h2-3,6,9H,4-5,7H2,1H3,(H2,17,18)
InChIKeyBZDMKHGZPYYXBT-UHFFFAOYSA-N
XLogP3.39
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-thiophen-2-yl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
CID 678703
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
(6S)-2-amino-6-methyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 2020042
2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3116798
methyl 4-[(6R)-2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl]benzoate
CID 7731997
2-amino-6-methyl-4-(2,3,4-trimethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 5197805
(6R)-2-amino-4-[3-(2-hydroxyethoxy)phenyl]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 95542957
2-amino-4-(3-methylthiophen-2-yl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3285100
3-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 59854867
2-amino-6-tert-butyl-4-(3-methylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3272816
2-amino-4-(4-bromothiophen-2-yl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3285102

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 5197809) is 2-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is CC1CCc2nc(N)c(C#N)c(-c3cccs3)c2C1.
What is the InChIKey of 2-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is BZDMKHGZPYYXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-9-4-5-12-10(7-9)14(13-3-2-6-19-13)11(8-16)15(17)18-12/h2-3,6,9H,4-5,7H2,1H3,(H2,17,18).
What are the key properties of 2-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 269.37 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 5197809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).