9-methoxy-6-methylsulfanylindeno[1,2-c]quinolin-11-one

C18H13NO2S — CID 52951177

IUPAC9-methoxy-6-methylsulfanylindeno[1,2-c]quinolin-11-one
SMILESCOc1ccc2c(c1)C(=O)c1c-2c(SC)nc2ccccc12
InChIInChI=1S/C18H13NO2S/c1-21-10-7-8-11-13(9-10)17(20)15-12-5-3-4-6-14(12)19-18(22-2)16(11)15/h3-9H,1-2H3
InChIKeyKYZCPXCWQDOOGZ-UHFFFAOYSA-N
MW307.37 g/mol
LogP4.18
Rot. Bonds2

About 9-methoxy-6-methylsulfanylindeno[1,2-c]quinolin-11-one

9-methoxy-6-methylsulfanylindeno[1,2-c]quinolin-11-one (PubChem CID 52951177) has the molecular formula C18H13NO2S and a molecular weight of 307.37 g/mol. Its IUPAC name is 9-methoxy-6-methylsulfanylindeno[1,2-c]quinolin-11-one.

Molecular Properties

Compound Name9-methoxy-6-methylsulfanylindeno[1,2-c]quinolin-11-one
PubChem CID52951177
Molecular FormulaC18H13NO2S
Molecular Weight307.37 g/mol
Exact Mass307.07
IUPAC Name9-methoxy-6-methylsulfanylindeno[1,2-c]quinolin-11-one
SMILESCOc1ccc2c(c1)C(=O)c1c-2c(SC)nc2ccccc12
InChIInChI=1S/C18H13NO2S/c1-21-10-7-8-11-13(9-10)17(20)15-12-5-3-4-6-14(12)19-18(22-2)16(11)15/h3-9H,1-2H3
InChIKeyKYZCPXCWQDOOGZ-UHFFFAOYSA-N
XLogP4.18
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-Benzodioxol-5-yl)-2-(2-quinolinylthio)ethanone
CID 976767
1-(1,3-Benzodioxol-5-yl)-2-(4-methylquinolin-2-yl)sulfanylethanone
CID 1228660
2-[(3-Methoxybenzyl)sulfanyl]-3-quinolinecarbaldehyde
CID 1481616
(E)-3-[3-(4-methoxyphenyl)quinolin-2-yl]-1-thiophen-2-ylprop-2-en-1-one
CID 71570810
(E)-3-[3-(4-methoxyphenyl)quinolin-2-yl]-1-thiophen-3-ylprop-2-en-1-one
CID 71570954
9-Methoxy-11H-indeno[1,2-c]quinolin-11-one
CID 44604383
11H-Indeno(1,2-b)quinolin-11-one, 10-chloro-2-methoxy-
CID 11822562
6,9-Dimethoxyindeno[1,2-c]quinolin-11-one
CID 24205231
6-Amino-9-methoxyindeno[1,2-c]quinolin-11-one
CID 44450678
9-[3-(Dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]indeno[1,2-c]quinolin-11-one
CID 46228179
2-Fluoro-9-methoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-one
CID 46228189
2,9-Dimethoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-one
CID 46228201

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-6-methylsulfanylindeno[1,2-c]quinolin-11-one?
The IUPAC name of 9-methoxy-6-methylsulfanylindeno[1,2-c]quinolin-11-one (CID 52951177) is 9-methoxy-6-methylsulfanylindeno[1,2-c]quinolin-11-one.
What is the SMILES notation for 9-methoxy-6-methylsulfanylindeno[1,2-c]quinolin-11-one?
The canonical SMILES for 9-methoxy-6-methylsulfanylindeno[1,2-c]quinolin-11-one is COc1ccc2c(c1)C(=O)c1c-2c(SC)nc2ccccc12.
What is the InChIKey of 9-methoxy-6-methylsulfanylindeno[1,2-c]quinolin-11-one?
The InChIKey is KYZCPXCWQDOOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2S/c1-21-10-7-8-11-13(9-10)17(20)15-12-5-3-4-6-14(12)19-18(22-2)16(11)15/h3-9H,1-2H3.
What are the key properties of 9-methoxy-6-methylsulfanylindeno[1,2-c]quinolin-11-one?
9-methoxy-6-methylsulfanylindeno[1,2-c]quinolin-11-one has a molecular weight of 307.37 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-6-methylsulfanylindeno[1,2-c]quinolin-11-one is sourced from PubChem (CID 52951177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).