8-chloro-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid

C16H10ClNO2S — CID 63462640

IUPAC8-chloro-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccc(Cl)cc13)-c1ccsc1CC2
InChIInChI=1S/C16H10ClNO2S/c17-8-1-3-12-11(7-8)14(16(19)20)10-2-4-13-9(5-6-21-13)15(10)18-12/h1,3,5-7H,2,4H2,(H,19,20)
InChIKeyXYFAZPRGZIIFQT-UHFFFAOYSA-N
MW315.78 g/mol
LogP4.41
Rot. Bonds1

About 8-chloro-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid

8-chloro-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid (PubChem CID 63462640) has the molecular formula C16H10ClNO2S and a molecular weight of 315.78 g/mol. Its IUPAC name is 8-chloro-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid.

Molecular Properties

Compound Name8-chloro-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid
PubChem CID63462640
Molecular FormulaC16H10ClNO2S
Molecular Weight315.78 g/mol
Exact Mass315.01
IUPAC Name8-chloro-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccc(Cl)cc13)-c1ccsc1CC2
InChIInChI=1S/C16H10ClNO2S/c17-8-1-3-12-11(7-8)14(16(19)20)10-2-4-13-9(5-6-21-13)15(10)18-12/h1,3,5-7H,2,4H2,(H,19,20)
InChIKeyXYFAZPRGZIIFQT-UHFFFAOYSA-N
XLogP4.41
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-fluoro-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid
CID 62842113
9-bromo-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid
CID 63463135
6-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 4712139
7-chloro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 4713567
2-(4-chlorophenyl)-3-hydroxy-6-iodoquinoline-4-carboxylic acid
CID 14498148
8-bromo-4,5-dihydrofuro[2,3-c]acridine-6-carboxylic acid
CID 115466648
7-chloro-3,22-diazapentacyclo[12.8.0.02,10.04,9.016,21]docosa-1(22),2(10),4(9),5,7,14,16,18,20-nonaene-15-carboxylic acid
CID 56934261
15-fluoro-5-thiophen-2-yl-19-azatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2(7),3,5,11,13(18),14,16-octaene-12-carboxylic acid
CID 19036853
3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CID 3665760
2-(4-chlorophenyl)-6-fluoro-3-hydroxyquinoline-4-carboxylic acid
CID 14498162
6-chloro-2-(4-methylphenyl)-3-morpholin-4-ylquinoline-4-carboxylic acid
CID 16643776
9-fluoro-3-phenyl-5,6-dihydrobenzo[c]acridine-7-carboxylic acid
CID 14773532

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid?
The IUPAC name of 8-chloro-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid (CID 63462640) is 8-chloro-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid.
What is the SMILES notation for 8-chloro-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid?
The canonical SMILES for 8-chloro-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid is O=C(O)c1c2c(nc3ccc(Cl)cc13)-c1ccsc1CC2.
What is the InChIKey of 8-chloro-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid?
The InChIKey is XYFAZPRGZIIFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO2S/c17-8-1-3-12-11(7-8)14(16(19)20)10-2-4-13-9(5-6-21-13)15(10)18-12/h1,3,5-7H,2,4H2,(H,19,20).
What are the key properties of 8-chloro-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid?
8-chloro-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid has a molecular weight of 315.78 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid is sourced from PubChem (CID 63462640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).