phenyl(thieno[2,3-b]quinolin-2-yl)methanone

C18H11NOS — CID 5178943

IUPACphenyl(thieno[2,3-b]quinolin-2-yl)methanone
SMILESO=C(c1ccccc1)c1cc2cc3ccccc3nc2s1
InChIInChI=1S/C18H11NOS/c20-17(12-6-2-1-3-7-12)16-11-14-10-13-8-4-5-9-15(13)19-18(14)21-16/h1-11H
InChIKeySDWDPUIMIOITGR-UHFFFAOYSA-N
MW289.36 g/mol
LogP4.68
Rot. Bonds2

About phenyl(thieno[2,3-b]quinolin-2-yl)methanone

phenyl(thieno[2,3-b]quinolin-2-yl)methanone (PubChem CID 5178943) has the molecular formula C18H11NOS and a molecular weight of 289.36 g/mol. Its IUPAC name is phenyl(thieno[2,3-b]quinolin-2-yl)methanone.

Molecular Properties

Compound Namephenyl(thieno[2,3-b]quinolin-2-yl)methanone
PubChem CID5178943
Molecular FormulaC18H11NOS
Molecular Weight289.36 g/mol
Exact Mass289.06
IUPAC Namephenyl(thieno[2,3-b]quinolin-2-yl)methanone
SMILESO=C(c1ccccc1)c1cc2cc3ccccc3nc2s1
InChIInChI=1S/C18H11NOS/c20-17(12-6-2-1-3-7-12)16-11-14-10-13-8-4-5-9-15(13)19-18(14)21-16/h1-11H
InChIKeySDWDPUIMIOITGR-UHFFFAOYSA-N
XLogP4.68
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-2-yl(phenyl)methanone
CID 3842890
1-(2-hydroxyphenyl)-3-thieno[2,3-b]quinolin-2-ylpropane-1,3-dione
CID 139237648
N'-[3-(trifluoromethyl)benzoyl]thieno[2,3-b]quinoline-2-carbohydrazide
CID 1485303
6-fluorothieno[2,3-b]quinoline-2-carboxylic acid
CID 44754716
anthracene;diphenylmethanone
CID 87408663
1-benzothiophen-2-yl(quinolin-6-yl)methanone
CID 115790588
(5-benzoylthiophen-2-yl)-phenylmethanone;boranuide
CID 158491316
[2-(oxan-4-ylamino)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanone
CID 10172144
6-tert-butylthieno[2,3-b]quinoline-2-carboxamide
CID 11854062
N-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;benzene
CID 143292872
acridine
CID 21226281
7-methylthieno[2,3-b]quinoline-2-carboxylate
CID 4126375

Frequently Asked Questions

What is the IUPAC name of phenyl(thieno[2,3-b]quinolin-2-yl)methanone?
The IUPAC name of phenyl(thieno[2,3-b]quinolin-2-yl)methanone (CID 5178943) is phenyl(thieno[2,3-b]quinolin-2-yl)methanone.
What is the SMILES notation for phenyl(thieno[2,3-b]quinolin-2-yl)methanone?
The canonical SMILES for phenyl(thieno[2,3-b]quinolin-2-yl)methanone is O=C(c1ccccc1)c1cc2cc3ccccc3nc2s1.
What is the InChIKey of phenyl(thieno[2,3-b]quinolin-2-yl)methanone?
The InChIKey is SDWDPUIMIOITGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NOS/c20-17(12-6-2-1-3-7-12)16-11-14-10-13-8-4-5-9-15(13)19-18(14)21-16/h1-11H.
What are the key properties of phenyl(thieno[2,3-b]quinolin-2-yl)methanone?
phenyl(thieno[2,3-b]quinolin-2-yl)methanone has a molecular weight of 289.36 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(thieno[2,3-b]quinolin-2-yl)methanone is sourced from PubChem (CID 5178943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).