5-[3-(dimethylamino)propyl]-[1]benzothiolo[2,3-c]quinolin-6-one

C20H20N2OS — CID 11823910

IUPAC5-[3-(dimethylamino)propyl]-[1]benzothiolo[2,3-c]quinolin-6-one
SMILESCN(C)CCCn1c(=O)c2sc3ccccc3c2c2ccccc21
InChIInChI=1S/C20H20N2OS/c1-21(2)12-7-13-22-16-10-5-3-8-14(16)18-15-9-4-6-11-17(15)24-19(18)20(22)23/h3-6,8-11H,7,12-13H2,1-2H3
InChIKeyCWEWUUWWUREOJL-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.32
Rot. Bonds4

About 5-[3-(dimethylamino)propyl]-[1]benzothiolo[2,3-c]quinolin-6-one

5-[3-(dimethylamino)propyl]-[1]benzothiolo[2,3-c]quinolin-6-one (PubChem CID 11823910) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propyl]-[1]benzothiolo[2,3-c]quinolin-6-one.

Molecular Properties

Compound Name5-[3-(dimethylamino)propyl]-[1]benzothiolo[2,3-c]quinolin-6-one
PubChem CID11823910
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC Name5-[3-(dimethylamino)propyl]-[1]benzothiolo[2,3-c]quinolin-6-one
SMILESCN(C)CCCn1c(=O)c2sc3ccccc3c2c2ccccc21
InChIInChI=1S/C20H20N2OS/c1-21(2)12-7-13-22-16-10-5-3-8-14(16)18-15-9-4-6-11-17(15)24-19(18)20(22)23/h3-6,8-11H,7,12-13H2,1-2H3
InChIKeyCWEWUUWWUREOJL-UHFFFAOYSA-N
XLogP4.32
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propyl]-[1]benzothiolo[2,3-c]quinolin-6-one?
The IUPAC name of 5-[3-(dimethylamino)propyl]-[1]benzothiolo[2,3-c]quinolin-6-one (CID 11823910) is 5-[3-(dimethylamino)propyl]-[1]benzothiolo[2,3-c]quinolin-6-one.
What is the SMILES notation for 5-[3-(dimethylamino)propyl]-[1]benzothiolo[2,3-c]quinolin-6-one?
The canonical SMILES for 5-[3-(dimethylamino)propyl]-[1]benzothiolo[2,3-c]quinolin-6-one is CN(C)CCCn1c(=O)c2sc3ccccc3c2c2ccccc21.
What is the InChIKey of 5-[3-(dimethylamino)propyl]-[1]benzothiolo[2,3-c]quinolin-6-one?
The InChIKey is CWEWUUWWUREOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-21(2)12-7-13-22-16-10-5-3-8-14(16)18-15-9-4-6-11-17(15)24-19(18)20(22)23/h3-6,8-11H,7,12-13H2,1-2H3.
What are the key properties of 5-[3-(dimethylamino)propyl]-[1]benzothiolo[2,3-c]quinolin-6-one?
5-[3-(dimethylamino)propyl]-[1]benzothiolo[2,3-c]quinolin-6-one has a molecular weight of 336.46 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propyl]-[1]benzothiolo[2,3-c]quinolin-6-one is sourced from PubChem (CID 11823910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).