3-amino-N-(2,5-dimethoxyphenyl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide

C22H21N3O3S — CID 43812053

IUPAC3-amino-N-(2,5-dimethoxyphenyl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2sc3nc4cc(C)c(C)cc4cc3c2N)c1
InChIInChI=1S/C22H21N3O3S/c1-11-7-13-9-15-19(23)20(29-22(15)25-16(13)8-12(11)2)21(26)24-17-10-14(27-3)5-6-18(17)28-4/h5-10H,23H2,1-4H3,(H,24,26)
InChIKeyIMWNFHSHESFSSJ-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.92
Rot. Bonds4

About 3-amino-N-(2,5-dimethoxyphenyl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide

3-amino-N-(2,5-dimethoxyphenyl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide (PubChem CID 43812053) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 3-amino-N-(2,5-dimethoxyphenyl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,5-dimethoxyphenyl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide
PubChem CID43812053
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name3-amino-N-(2,5-dimethoxyphenyl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2sc3nc4cc(C)c(C)cc4cc3c2N)c1
InChIInChI=1S/C22H21N3O3S/c1-11-7-13-9-15-19(23)20(29-22(15)25-16(13)8-12(11)2)21(26)24-17-10-14(27-3)5-6-18(17)28-4/h5-10H,23H2,1-4H3,(H,24,26)
InChIKeyIMWNFHSHESFSSJ-UHFFFAOYSA-N
XLogP4.92
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-7-ethoxy-N-(2-methoxy-5-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide
CID 1146714
3-amino-N-(2,5-dimethoxyphenyl)-8-ethylthieno[2,3-b]quinoline-2-carboxamide
CID 3231267
3-amino-7-methoxy-N-(4-methoxyphenyl)thieno[2,3-b]quinoline-2-carboxamide
CID 1132039
3-amino-N-(2,4-dimethoxyphenyl)-8-methylthieno[2,3-b]quinoline-2-carboxamide
CID 1207174
3-amino-N-(2-chlorophenyl)-6,7-dimethoxythieno[2,3-b]quinoline-2-carboxamide
CID 43812112
3-amino-N-(2-carbamoylphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 3599566
3-amino-N-(2-ethoxyphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 3207356
N-(2,5-dimethoxyphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide
CID 15990436
3-amino-N-(2,5-dimethoxyphenyl)-4-(2-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3165794
methyl 2-[(3-amino-6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]acetate
CID 155515018
3-amino-N-(2,5-dimethoxyphenyl)-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23832789
3-amino-N-(2,4-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23888867

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,5-dimethoxyphenyl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N-(2,5-dimethoxyphenyl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide (CID 43812053) is 3-amino-N-(2,5-dimethoxyphenyl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2,5-dimethoxyphenyl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N-(2,5-dimethoxyphenyl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide is COc1ccc(OC)c(NC(=O)c2sc3nc4cc(C)c(C)cc4cc3c2N)c1.
What is the InChIKey of 3-amino-N-(2,5-dimethoxyphenyl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is IMWNFHSHESFSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-11-7-13-9-15-19(23)20(29-22(15)25-16(13)8-12(11)2)21(26)24-17-10-14(27-3)5-6-18(17)28-4/h5-10H,23H2,1-4H3,(H,24,26).
What are the key properties of 3-amino-N-(2,5-dimethoxyphenyl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide?
3-amino-N-(2,5-dimethoxyphenyl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,5-dimethoxyphenyl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 43812053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).