3-thieno[3,2-c]quinolin-2-ylbenzonitrile

C18H10N2S — CID 71530393

IUPAC3-thieno[3,2-c]quinolin-2-ylbenzonitrile
SMILESN#Cc1cccc(-c2cc3cnc4ccccc4c3s2)c1
InChIInChI=1S/C18H10N2S/c19-10-12-4-3-5-13(8-12)17-9-14-11-20-16-7-2-1-6-15(16)18(14)21-17/h1-9,11H
InChIKeyWABAORVAMKTDNX-UHFFFAOYSA-N
MW286.36 g/mol
LogP4.99
Rot. Bonds1

About 3-thieno[3,2-c]quinolin-2-ylbenzonitrile

3-thieno[3,2-c]quinolin-2-ylbenzonitrile (PubChem CID 71530393) has the molecular formula C18H10N2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-thieno[3,2-c]quinolin-2-ylbenzonitrile.

Molecular Properties

Compound Name3-thieno[3,2-c]quinolin-2-ylbenzonitrile
PubChem CID71530393
Molecular FormulaC18H10N2S
Molecular Weight286.36 g/mol
Exact Mass286.06
IUPAC Name3-thieno[3,2-c]quinolin-2-ylbenzonitrile
SMILESN#Cc1cccc(-c2cc3cnc4ccccc4c3s2)c1
InChIInChI=1S/C18H10N2S/c19-10-12-4-3-5-13(8-12)17-9-14-11-20-16-7-2-1-6-15(16)18(14)21-17/h1-9,11H
InChIKeyWABAORVAMKTDNX-UHFFFAOYSA-N
XLogP4.99
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyrimidin-5-ylthieno[3,2-c]quinoline
CID 71530528
3-[5-(3-cyanophenyl)thiophen-2-yl]benzonitrile
CID 11243141
3-(2-amino-1,3-thiazol-5-yl)benzonitrile
CID 61025504
3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile
CID 134317886
4-amino-2-(3-cyanophenyl)thieno[2,3-d]pyridazine-7-carboxamide
CID 11594527
3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 134317879
3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzonitrile
CID 134317943
3-(4-amino-6-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)benzonitrile
CID 70901414
3-(10-phenylanthracen-9-yl)benzonitrile
CID 89026886
ethanol;2-phenylthieno[2,3-b]pyridine-5-carbonitrile
CID 158277752
3-[4-(methylamino)quinazolin-2-yl]benzonitrile
CID 3233618
3-(5-bromo-4-methylthiophen-2-yl)benzonitrile
CID 132540534

Frequently Asked Questions

What is the IUPAC name of 3-thieno[3,2-c]quinolin-2-ylbenzonitrile?
The IUPAC name of 3-thieno[3,2-c]quinolin-2-ylbenzonitrile (CID 71530393) is 3-thieno[3,2-c]quinolin-2-ylbenzonitrile.
What is the SMILES notation for 3-thieno[3,2-c]quinolin-2-ylbenzonitrile?
The canonical SMILES for 3-thieno[3,2-c]quinolin-2-ylbenzonitrile is N#Cc1cccc(-c2cc3cnc4ccccc4c3s2)c1.
What is the InChIKey of 3-thieno[3,2-c]quinolin-2-ylbenzonitrile?
The InChIKey is WABAORVAMKTDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N2S/c19-10-12-4-3-5-13(8-12)17-9-14-11-20-16-7-2-1-6-15(16)18(14)21-17/h1-9,11H.
What are the key properties of 3-thieno[3,2-c]quinolin-2-ylbenzonitrile?
3-thieno[3,2-c]quinolin-2-ylbenzonitrile has a molecular weight of 286.36 g/mol, XLogP of 4.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thieno[3,2-c]quinolin-2-ylbenzonitrile is sourced from PubChem (CID 71530393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).