5-[3-(dimethylamino)propyl]thieno[3,2-c]quinolin-4-one

C16H18N2OS — CID 1211818

IUPAC5-[3-(dimethylamino)propyl]thieno[3,2-c]quinolin-4-one
SMILESCN(C)CCCn1c(=O)c2ccsc2c2ccccc21
InChIInChI=1S/C16H18N2OS/c1-17(2)9-5-10-18-14-7-4-3-6-12(14)15-13(16(18)19)8-11-20-15/h3-4,6-8,11H,5,9-10H2,1-2H3
InChIKeyOJRAQLSQIDGKHE-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.17
Rot. Bonds4

About 5-[3-(dimethylamino)propyl]thieno[3,2-c]quinolin-4-one

5-[3-(dimethylamino)propyl]thieno[3,2-c]quinolin-4-one (PubChem CID 1211818) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propyl]thieno[3,2-c]quinolin-4-one.

Molecular Properties

Compound Name5-[3-(dimethylamino)propyl]thieno[3,2-c]quinolin-4-one
PubChem CID1211818
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name5-[3-(dimethylamino)propyl]thieno[3,2-c]quinolin-4-one
SMILESCN(C)CCCn1c(=O)c2ccsc2c2ccccc21
InChIInChI=1S/C16H18N2OS/c1-17(2)9-5-10-18-14-7-4-3-6-12(14)15-13(16(18)19)8-11-20-15/h3-4,6-8,11H,5,9-10H2,1-2H3
InChIKeyOJRAQLSQIDGKHE-UHFFFAOYSA-N
XLogP3.17
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-chloro-5-[3-(dimethylamino)propyl]-7H-indolo[2,3-c]quinolin-6-one
CID 21445423
3-[3-(dimethylamino)propyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 56686617
3-(3-ethylidene-2-methylideneindol-1-yl)-N,N-dimethylpropan-1-amine
CID 91345374
4-[3-(dimethylamino)propyl]-2-methyl-1H-pyrrolo[3,4-b]indol-3-one
CID 97356822
10-[2-(dimethylamino)ethyl]acridin-9-one
CID 3014731
N,N-dimethyl-3-(3-nitrocarbazol-9-yl)propan-1-amine
CID 15621619
8-chloro-5-[2-(dimethylamino)ethyl]-7H-indolo[2,3-c]quinolin-6-one
CID 21445445
azane;chloromethane;ethyl 1-[3-(dimethylamino)propyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate
CID 159906364
3-(2,4-difluorocarbazol-9-yl)-N,N-dimethylpropan-1-amine
CID 138115553
3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine
CID 1403670
5-(4-bromobutyl)phenanthridin-6-one
CID 19382417
2-[3-(dimethylamino)propyl]-1-phenylisoquinolin-3-one
CID 71325764

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propyl]thieno[3,2-c]quinolin-4-one?
The IUPAC name of 5-[3-(dimethylamino)propyl]thieno[3,2-c]quinolin-4-one (CID 1211818) is 5-[3-(dimethylamino)propyl]thieno[3,2-c]quinolin-4-one.
What is the SMILES notation for 5-[3-(dimethylamino)propyl]thieno[3,2-c]quinolin-4-one?
The canonical SMILES for 5-[3-(dimethylamino)propyl]thieno[3,2-c]quinolin-4-one is CN(C)CCCn1c(=O)c2ccsc2c2ccccc21.
What is the InChIKey of 5-[3-(dimethylamino)propyl]thieno[3,2-c]quinolin-4-one?
The InChIKey is OJRAQLSQIDGKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-17(2)9-5-10-18-14-7-4-3-6-12(14)15-13(16(18)19)8-11-20-15/h3-4,6-8,11H,5,9-10H2,1-2H3.
What are the key properties of 5-[3-(dimethylamino)propyl]thieno[3,2-c]quinolin-4-one?
5-[3-(dimethylamino)propyl]thieno[3,2-c]quinolin-4-one has a molecular weight of 286.40 g/mol, XLogP of 3.17, 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]thieno[3,2-c]quinolin-4-one is sourced from PubChem (CID 1211818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).