(3E)-3-(thiophen-3-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid

C18H13NO2S — CID 8863644

IUPAC(3E)-3-(thiophen-3-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccccc13)/C(=C/c1ccsc1)CC2
InChIInChI=1S/C18H13NO2S/c20-18(21)16-13-3-1-2-4-15(13)19-17-12(5-6-14(16)17)9-11-7-8-22-10-11/h1-4,7-10H,5-6H2,(H,20,21)/b12-9+
InChIKeyHPTIMIMROKLGLU-FMIVXFBMSA-N
MW307.37 g/mol
LogP4.48
Rot. Bonds2

About (3E)-3-(thiophen-3-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid

(3E)-3-(thiophen-3-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid (PubChem CID 8863644) has the molecular formula C18H13NO2S and a molecular weight of 307.37 g/mol. Its IUPAC name is (3E)-3-(thiophen-3-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid.

Molecular Properties

Compound Name(3E)-3-(thiophen-3-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
PubChem CID8863644
Molecular FormulaC18H13NO2S
Molecular Weight307.37 g/mol
Exact Mass307.07
IUPAC Name(3E)-3-(thiophen-3-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccccc13)/C(=C/c1ccsc1)CC2
InChIInChI=1S/C18H13NO2S/c20-18(21)16-13-3-1-2-4-15(13)19-17-12(5-6-14(16)17)9-11-7-8-22-10-11/h1-4,7-10H,5-6H2,(H,20,21)/b12-9+
InChIKeyHPTIMIMROKLGLU-FMIVXFBMSA-N
XLogP4.48
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CID 5009990
(3Z)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CID 75409701
4-[(4-hydroxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 3748703
3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CID 3665760
(4E)-4-[(4-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 6245839
[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone
CID 56575832
(4Z)-4-(pyridin-3-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 51109672
(4Z)-4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 86767876
4-[(3-methylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 3377356
(4E)-4-[(2,6-difluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 6107892
(4E)-4-[(4-morpholin-4-ylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 7946308
(3E)-3-benzylidene-N-pyridin-4-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 39954016

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(thiophen-3-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
The IUPAC name of (3E)-3-(thiophen-3-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid (CID 8863644) is (3E)-3-(thiophen-3-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid.
What is the SMILES notation for (3E)-3-(thiophen-3-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
The canonical SMILES for (3E)-3-(thiophen-3-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid is O=C(O)c1c2c(nc3ccccc13)/C(=C/c1ccsc1)CC2.
What is the InChIKey of (3E)-3-(thiophen-3-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
The InChIKey is HPTIMIMROKLGLU-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H13NO2S/c20-18(21)16-13-3-1-2-4-15(13)19-17-12(5-6-14(16)17)9-11-7-8-22-10-11/h1-4,7-10H,5-6H2,(H,20,21)/b12-9+.
What are the key properties of (3E)-3-(thiophen-3-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
(3E)-3-(thiophen-3-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid has a molecular weight of 307.37 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(thiophen-3-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid is sourced from PubChem (CID 8863644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).