3-amino-N-(2,4-dimethoxyphenyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide

C21H19N3O3S — CID 1207174

IUPAC3-amino-N-(2,4-dimethoxyphenyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3nc4c(C)cccc4cc3c2N)c(OC)c1
InChIInChI=1S/C21H19N3O3S/c1-11-5-4-6-12-9-14-17(22)19(28-21(14)24-18(11)12)20(25)23-15-8-7-13(26-2)10-16(15)27-3/h4-10H,22H2,1-3H3,(H,23,25)
InChIKeyKRRVDKRZDOAHHM-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.61
Rot. Bonds4

About 3-amino-N-(2,4-dimethoxyphenyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide

3-amino-N-(2,4-dimethoxyphenyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide (PubChem CID 1207174) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 3-amino-N-(2,4-dimethoxyphenyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,4-dimethoxyphenyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide
PubChem CID1207174
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name3-amino-N-(2,4-dimethoxyphenyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3nc4c(C)cccc4cc3c2N)c(OC)c1
InChIInChI=1S/C21H19N3O3S/c1-11-5-4-6-12-9-14-17(22)19(28-21(14)24-18(11)12)20(25)23-15-8-7-13(26-2)10-16(15)27-3/h4-10H,22H2,1-3H3,(H,23,25)
InChIKeyKRRVDKRZDOAHHM-UHFFFAOYSA-N
XLogP4.61
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-(2,4-dimethoxyphenyl)-8-methylthieno[2,3-b]quinoline-2-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

3-amino-N-(2,5-dimethoxyphenyl)-8-ethylthieno[2,3-b]quinoline-2-carboxamide
CID 3231267
3-amino-N-(2,4-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23888867
3-amino-N-(2,5-dimethoxyphenyl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide
CID 43812053
3-amino-8-methyl-N-(5-methyl-1,3-thiazol-2-yl)thieno[2,3-b]quinoline-2-carboxamide
CID 1374556
6-amino-N-(2,4-dimethoxyphenyl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide
CID 1025275
(6S)-3-amino-N-(2,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1025352
ethyl 3-amino-8-methylthieno[2,3-b]quinoline-2-carboxylate
CID 865150
3-amino-N-(2,4-dimethoxyphenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1003456
3-amino-N-(4-methoxy-2-methylphenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1239621
3-amino-N-(2-ethoxyphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 3207356
3-amino-N-(2-carbamoylphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 3599566
3-amino-N-(furan-2-ylmethyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide
CID 865148

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4-dimethoxyphenyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N-(2,4-dimethoxyphenyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide (CID 1207174) is 3-amino-N-(2,4-dimethoxyphenyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2,4-dimethoxyphenyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N-(2,4-dimethoxyphenyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide is COc1ccc(NC(=O)c2sc3nc4c(C)cccc4cc3c2N)c(OC)c1.
What is the InChIKey of 3-amino-N-(2,4-dimethoxyphenyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is KRRVDKRZDOAHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-11-5-4-6-12-9-14-17(22)19(28-21(14)24-18(11)12)20(25)23-15-8-7-13(26-2)10-16(15)27-3/h4-10H,22H2,1-3H3,(H,23,25).
What are the key properties of 3-amino-N-(2,4-dimethoxyphenyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide?
3-amino-N-(2,4-dimethoxyphenyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,4-dimethoxyphenyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 1207174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).