N-[2-(dimethylamino)ethyl]-6,9-dimethyl-[1]benzothiolo[3,2-b]quinoline-4-carboxamide

C22H23N3OS — CID 101079695

IUPACN-[2-(dimethylamino)ethyl]-6,9-dimethyl-[1]benzothiolo[3,2-b]quinoline-4-carboxamide
SMILESCc1ccc(C)c2c1sc1cc3cccc(C(=O)NCCN(C)C)c3nc12
InChIInChI=1S/C22H23N3OS/c1-13-8-9-14(2)21-18(13)20-17(27-21)12-15-6-5-7-16(19(15)24-20)22(26)23-10-11-25(3)4/h5-9,12H,10-11H2,1-4H3,(H,23,26)
InChIKeyUWJRBGTWDWEQQH-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.51
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-6,9-dimethyl-[1]benzothiolo[3,2-b]quinoline-4-carboxamide

N-[2-(dimethylamino)ethyl]-6,9-dimethyl-[1]benzothiolo[3,2-b]quinoline-4-carboxamide (PubChem CID 101079695) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-6,9-dimethyl-[1]benzothiolo[3,2-b]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6,9-dimethyl-[1]benzothiolo[3,2-b]quinoline-4-carboxamide
PubChem CID101079695
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC NameN-[2-(dimethylamino)ethyl]-6,9-dimethyl-[1]benzothiolo[3,2-b]quinoline-4-carboxamide
SMILESCc1ccc(C)c2c1sc1cc3cccc(C(=O)NCCN(C)C)c3nc12
InChIInChI=1S/C22H23N3OS/c1-13-8-9-14(2)21-18(13)20-17(27-21)12-15-6-5-7-16(19(15)24-20)22(26)23-10-11-25(3)4/h5-9,12H,10-11H2,1-4H3,(H,23,26)
InChIKeyUWJRBGTWDWEQQH-UHFFFAOYSA-N
XLogP4.51
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(dimethylamino)ethyl]-6,9-dimethyl-[1]benzothiolo[3,2-b]quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)ethyl]-6,7-dimethylacridine-4-carboxamide
CID 54432311
N-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide
CID 10690459
9-chloro-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide
CID 10593362
N-[2-(dimethylamino)ethyl]-[1]benzofuro[2,3-b]quinoline-7-carboxamide
CID 10640396
N-[3-[3-[(5,8-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5,8-dimethylacridine-4-carboxamide
CID 10603794
N-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)acridine-4-carboxamide
CID 11792926
N-[3-[3-aminopropyl(methyl)amino]propyl]-5-methylacridine-4-carboxamide
CID 89338534
9-amino-N-[2-(dimethylamino)ethyl]-5-fluoroacridine-4-carboxamide
CID 1818
9-anilino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide
CID 59765054
[5-[[4-[2-(dimethylamino)ethylcarbamoyl]acridin-9-yl]amino]-2-methylphenyl]carbamic acid
CID 91058936
N-[2-(dimethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide
CID 110704564
N-[2-(dimethylamino)ethyl]-2-phenylbenzo[h]quinoline-4-carboxamide
CID 155517784

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-6,9-dimethyl-[1]benzothiolo[3,2-b]quinoline-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-6,9-dimethyl-[1]benzothiolo[3,2-b]quinoline-4-carboxamide (CID 101079695) is N-[2-(dimethylamino)ethyl]-6,9-dimethyl-[1]benzothiolo[3,2-b]quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-6,9-dimethyl-[1]benzothiolo[3,2-b]quinoline-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-6,9-dimethyl-[1]benzothiolo[3,2-b]quinoline-4-carboxamide is Cc1ccc(C)c2c1sc1cc3cccc(C(=O)NCCN(C)C)c3nc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-6,9-dimethyl-[1]benzothiolo[3,2-b]quinoline-4-carboxamide?
The InChIKey is UWJRBGTWDWEQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c1-13-8-9-14(2)21-18(13)20-17(27-21)12-15-6-5-7-16(19(15)24-20)22(26)23-10-11-25(3)4/h5-9,12H,10-11H2,1-4H3,(H,23,26).
What are the key properties of N-[2-(dimethylamino)ethyl]-6,9-dimethyl-[1]benzothiolo[3,2-b]quinoline-4-carboxamide?
N-[2-(dimethylamino)ethyl]-6,9-dimethyl-[1]benzothiolo[3,2-b]quinoline-4-carboxamide has a molecular weight of 377.51 g/mol, XLogP of 4.51, 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]-6,9-dimethyl-[1]benzothiolo[3,2-b]quinoline-4-carboxamide is sourced from PubChem (CID 101079695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).