7-methyl-6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile

C16H18N2S — CID 58749666

IUPAC7-methyl-6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
SMILESCC(C)C1Cc2cc3cc(C#N)sc3nc2CC1C
InChIInChI=1S/C16H18N2S/c1-9(2)14-7-11-5-12-6-13(8-17)19-16(12)18-15(11)4-10(14)3/h5-6,9-10,14H,4,7H2,1-3H3
InChIKeyDOZWNFFPLNSNPD-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.17
Rot. Bonds1

About 7-methyl-6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile

7-methyl-6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile (PubChem CID 58749666) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 7-methyl-6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile.

Molecular Properties

Compound Name7-methyl-6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
PubChem CID58749666
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name7-methyl-6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
SMILESCC(C)C1Cc2cc3cc(C#N)sc3nc2CC1C
InChIInChI=1S/C16H18N2S/c1-9(2)14-7-11-5-12-6-13(8-17)19-16(12)18-15(11)4-10(14)3/h5-6,9-10,14H,4,7H2,1-3H3
InChIKeyDOZWNFFPLNSNPD-UHFFFAOYSA-N
XLogP4.17
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
The IUPAC name of 7-methyl-6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile (CID 58749666) is 7-methyl-6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile.
What is the SMILES notation for 7-methyl-6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
The canonical SMILES for 7-methyl-6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile is CC(C)C1Cc2cc3cc(C#N)sc3nc2CC1C.
What is the InChIKey of 7-methyl-6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
The InChIKey is DOZWNFFPLNSNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-9(2)14-7-11-5-12-6-13(8-17)19-16(12)18-15(11)4-10(14)3/h5-6,9-10,14H,4,7H2,1-3H3.
What are the key properties of 7-methyl-6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
7-methyl-6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile has a molecular weight of 270.40 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile is sourced from PubChem (CID 58749666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).