10-chloro-5H-thiochromeno[2,3-c]quinoline-6,12-dione

C16H8ClNO2S — CID 90646445

IUPAC10-chloro-5H-thiochromeno[2,3-c]quinoline-6,12-dione
SMILESO=c1[nH]c2ccccc2c2c(=O)c3cc(Cl)ccc3sc12
InChIInChI=1S/C16H8ClNO2S/c17-8-5-6-12-10(7-8)14(19)13-9-3-1-2-4-11(9)18-16(20)15(13)21-12/h1-7H,(H,18,20)
InChIKeyOZOWYVRTMXFMOE-UHFFFAOYSA-N
MW313.77 g/mol
LogP3.91
Rot. Bonds

About 10-chloro-5H-thiochromeno[2,3-c]quinoline-6,12-dione

10-chloro-5H-thiochromeno[2,3-c]quinoline-6,12-dione (PubChem CID 90646445) has the molecular formula C16H8ClNO2S and a molecular weight of 313.77 g/mol. Its IUPAC name is 10-chloro-5H-thiochromeno[2,3-c]quinoline-6,12-dione.

Molecular Properties

Compound Name10-chloro-5H-thiochromeno[2,3-c]quinoline-6,12-dione
PubChem CID90646445
Molecular FormulaC16H8ClNO2S
Molecular Weight313.77 g/mol
Exact Mass313.00
IUPAC Name10-chloro-5H-thiochromeno[2,3-c]quinoline-6,12-dione
SMILESO=c1[nH]c2ccccc2c2c(=O)c3cc(Cl)ccc3sc12
InChIInChI=1S/C16H8ClNO2S/c17-8-5-6-12-10(7-8)14(19)13-9-3-1-2-4-11(9)18-16(20)15(13)21-12/h1-7H,(H,18,20)
InChIKeyOZOWYVRTMXFMOE-UHFFFAOYSA-N
XLogP3.91
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.77
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-chloro-5,7-dihydroindolo[2,3-c]quinolin-6-one
CID 71560083
6-(5-chloro-2-fluorophenyl)-5H-[1]benzothiolo[3,2-c]carbazole
CID 168762965
10-chloro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one
CID 90646534
2-chlorothioxanthen-9-one;9,10-dimethylanthracene
CID 158085285
12H-thiochromeno[2,3-b]acridine-7,14-dione
CID 67634698
7-chloro-3-thiahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaene
CID 166846721
2,11-difluoro-5H-[1]benzothiolo[2,3-c]quinolin-6-one
CID 14872491
6-chloro-2,3-dimethylthiochromen-4-one
CID 86172878
1,5-dihydro-[1,3]thiazolo[5,4-c]quinoline-2,4-dione
CID 90766437
6-(4-benzylpiperidin-1-yl)-10-chlorothiochromeno[2,3-c]quinolin-12-one
CID 90646627
6-bromo-10-chloronaphtho[2,1-b][1]benzothiole
CID 155763696
19-chloro-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 90267086

Frequently Asked Questions

What is the IUPAC name of 10-chloro-5H-thiochromeno[2,3-c]quinoline-6,12-dione?
The IUPAC name of 10-chloro-5H-thiochromeno[2,3-c]quinoline-6,12-dione (CID 90646445) is 10-chloro-5H-thiochromeno[2,3-c]quinoline-6,12-dione.
What is the SMILES notation for 10-chloro-5H-thiochromeno[2,3-c]quinoline-6,12-dione?
The canonical SMILES for 10-chloro-5H-thiochromeno[2,3-c]quinoline-6,12-dione is O=c1[nH]c2ccccc2c2c(=O)c3cc(Cl)ccc3sc12.
What is the InChIKey of 10-chloro-5H-thiochromeno[2,3-c]quinoline-6,12-dione?
The InChIKey is OZOWYVRTMXFMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClNO2S/c17-8-5-6-12-10(7-8)14(19)13-9-3-1-2-4-11(9)18-16(20)15(13)21-12/h1-7H,(H,18,20).
What are the key properties of 10-chloro-5H-thiochromeno[2,3-c]quinoline-6,12-dione?
10-chloro-5H-thiochromeno[2,3-c]quinoline-6,12-dione has a molecular weight of 313.77 g/mol, XLogP of 3.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-5H-thiochromeno[2,3-c]quinoline-6,12-dione is sourced from PubChem (CID 90646445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).