N-[2-(dimethylamino)ethyl]-[1]benzothiolo[3,2-b]quinoline-4-carboxamide

C20H19N3OS — CID 10712777

IUPACN-[2-(dimethylamino)ethyl]-[1]benzothiolo[3,2-b]quinoline-4-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2cc3sc4ccccc4c3nc12
InChIInChI=1S/C20H19N3OS/c1-23(2)11-10-21-20(24)15-8-5-6-13-12-17-19(22-18(13)15)14-7-3-4-9-16(14)25-17/h3-9,12H,10-11H2,1-2H3,(H,21,24)
InChIKeyPSIZGLZREKXASE-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.89
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-[1]benzothiolo[3,2-b]quinoline-4-carboxamide

N-[2-(dimethylamino)ethyl]-[1]benzothiolo[3,2-b]quinoline-4-carboxamide (PubChem CID 10712777) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-[1]benzothiolo[3,2-b]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-[1]benzothiolo[3,2-b]quinoline-4-carboxamide
PubChem CID10712777
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC NameN-[2-(dimethylamino)ethyl]-[1]benzothiolo[3,2-b]quinoline-4-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2cc3sc4ccccc4c3nc12
InChIInChI=1S/C20H19N3OS/c1-23(2)11-10-21-20(24)15-8-5-6-13-12-17-19(22-18(13)15)14-7-3-4-9-16(14)25-17/h3-9,12H,10-11H2,1-2H3,(H,21,24)
InChIKeyPSIZGLZREKXASE-UHFFFAOYSA-N
XLogP3.89
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-2-thien-2-ylquinoline-4-carboxamide
CID 4227699
3-amino-N-benzyl-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 1541121
N-[2-(diethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 2052939
N-(2-(Dimethylamino)ethyl)-5-methyl-4-acridinecarboxamide
CID 129384
3-amino-N-(2-ethyl-6-methylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 2015058
N-{3-[butyl(methyl)amino]propyl}-2-thien-2-ylquinoline-4-carboxamide
CID 22422668
3-amino-N-(2-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 709531
N-[3-(dimethylamino)propyl]-2-(thiophen-2-yl)quinoline-4-carboxamide
CID 2090061
N-[2-(dimethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 2351889
4-chloro-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide
CID 6622499
4-N,11-N-bis[2-(dimethylamino)ethyl]-[1]benzothiolo[3,2-b]quinoline-4,11-dicarboxamide
CID 10050056
N-[2-(dimethylamino)ethyl]-5-ethylacridine-4-carboxamide
CID 10615773

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-[1]benzothiolo[3,2-b]quinoline-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-[1]benzothiolo[3,2-b]quinoline-4-carboxamide (CID 10712777) is N-[2-(dimethylamino)ethyl]-[1]benzothiolo[3,2-b]quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-[1]benzothiolo[3,2-b]quinoline-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-[1]benzothiolo[3,2-b]quinoline-4-carboxamide is CN(C)CCNC(=O)c1cccc2cc3sc4ccccc4c3nc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-[1]benzothiolo[3,2-b]quinoline-4-carboxamide?
The InChIKey is PSIZGLZREKXASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-23(2)11-10-21-20(24)15-8-5-6-13-12-17-19(22-18(13)15)14-7-3-4-9-16(14)25-17/h3-9,12H,10-11H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(dimethylamino)ethyl]-[1]benzothiolo[3,2-b]quinoline-4-carboxamide?
N-[2-(dimethylamino)ethyl]-[1]benzothiolo[3,2-b]quinoline-4-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-[1]benzothiolo[3,2-b]quinoline-4-carboxamide is sourced from PubChem (CID 10712777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).