3-amino-4,7,7-trimethyl-5-oxo-4,6,8,9-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile

C15H17N3OS — CID 2841037

IUPAC3-amino-4,7,7-trimethyl-5-oxo-4,6,8,9-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
SMILESCC1C2=C(CC(C)(C)CC2=O)Nc2sc(C#N)c(N)c21
InChIInChI=1S/C15H17N3OS/c1-7-11-8(4-15(2,3)5-9(11)19)18-14-12(7)13(17)10(6-16)20-14/h7,18H,4-5,17H2,1-3H3
InChIKeyOHNXUGCTTBMXLU-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.37
Rot. Bonds

About 3-amino-4,7,7-trimethyl-5-oxo-4,6,8,9-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile

3-amino-4,7,7-trimethyl-5-oxo-4,6,8,9-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile (PubChem CID 2841037) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 3-amino-4,7,7-trimethyl-5-oxo-4,6,8,9-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4,7,7-trimethyl-5-oxo-4,6,8,9-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
PubChem CID2841037
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name3-amino-4,7,7-trimethyl-5-oxo-4,6,8,9-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
SMILESCC1C2=C(CC(C)(C)CC2=O)Nc2sc(C#N)c(N)c21
InChIInChI=1S/C15H17N3OS/c1-7-11-8(4-15(2,3)5-9(11)19)18-14-12(7)13(17)10(6-16)20-14/h7,18H,4-5,17H2,1-3H3
InChIKeyOHNXUGCTTBMXLU-UHFFFAOYSA-N
XLogP3.37
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-4,7,7-trimethyl-5-oxo-4,6,8,9-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

(4S)-2,4,7,7-tetramethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
CID 721570
(4R)-3-amino-2-benzoyl-4-(4-fluorophenyl)-7,7-dimethyl-4,6,8,9-tetrahydrothieno[2,3-b]quinolin-5-one
CID 27210714
benzene;3-cyclopropyl-4,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 144606918
2-amino-4,7,7-trimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
CID 2841038
(4S)-2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
CID 124896085
2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
CID 2818302
7,7-dimethyl-5-oxo-4-phenyl-2-sulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile
CID 14737589
4-cyclopentyl-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 58119712
(4R)-2,7,7-trimethyl-4-(2-methylpropyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
CID 124896080
(4S)-4-(3-bromo-1-benzothiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
CID 92842876
(4R)-4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
CID 721567
2,7,7-trimethyl-5-oxo-4-(4-phenylphenyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile
CID 118731796

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,7,7-trimethyl-5-oxo-4,6,8,9-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
The IUPAC name of 3-amino-4,7,7-trimethyl-5-oxo-4,6,8,9-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile (CID 2841037) is 3-amino-4,7,7-trimethyl-5-oxo-4,6,8,9-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile.
What is the SMILES notation for 3-amino-4,7,7-trimethyl-5-oxo-4,6,8,9-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
The canonical SMILES for 3-amino-4,7,7-trimethyl-5-oxo-4,6,8,9-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile is CC1C2=C(CC(C)(C)CC2=O)Nc2sc(C#N)c(N)c21.
What is the InChIKey of 3-amino-4,7,7-trimethyl-5-oxo-4,6,8,9-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
The InChIKey is OHNXUGCTTBMXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-7-11-8(4-15(2,3)5-9(11)19)18-14-12(7)13(17)10(6-16)20-14/h7,18H,4-5,17H2,1-3H3.
What are the key properties of 3-amino-4,7,7-trimethyl-5-oxo-4,6,8,9-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
3-amino-4,7,7-trimethyl-5-oxo-4,6,8,9-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile has a molecular weight of 287.39 g/mol, XLogP of 3.37, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,7,7-trimethyl-5-oxo-4,6,8,9-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile is sourced from PubChem (CID 2841037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).