3-amino-7-methoxy-N-(4-methoxyphenyl)thieno[2,3-b]quinoline-2-carboxamide

C20H17N3O3S — CID 1132039

IUPAC3-amino-7-methoxy-N-(4-methoxyphenyl)thieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3nc4cc(OC)ccc4cc3c2N)cc1
InChIInChI=1S/C20H17N3O3S/c1-25-13-7-4-12(5-8-13)22-19(24)18-17(21)15-9-11-3-6-14(26-2)10-16(11)23-20(15)27-18/h3-10H,21H2,1-2H3,(H,22,24)
InChIKeyCFUFYFIJRAIEPC-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.30
Rot. Bonds4

About 3-amino-7-methoxy-N-(4-methoxyphenyl)thieno[2,3-b]quinoline-2-carboxamide

3-amino-7-methoxy-N-(4-methoxyphenyl)thieno[2,3-b]quinoline-2-carboxamide (PubChem CID 1132039) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is 3-amino-7-methoxy-N-(4-methoxyphenyl)thieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-7-methoxy-N-(4-methoxyphenyl)thieno[2,3-b]quinoline-2-carboxamide
PubChem CID1132039
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name3-amino-7-methoxy-N-(4-methoxyphenyl)thieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3nc4cc(OC)ccc4cc3c2N)cc1
InChIInChI=1S/C20H17N3O3S/c1-25-13-7-4-12(5-8-13)22-19(24)18-17(21)15-9-11-3-6-14(26-2)10-16(11)23-20(15)27-18/h3-10H,21H2,1-2H3,(H,22,24)
InChIKeyCFUFYFIJRAIEPC-UHFFFAOYSA-N
XLogP4.30
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(4-methoxyphenyl)-5-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155201860
3-amino-N-(2,5-dimethoxyphenyl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide
CID 43812053
3-amino-7-ethoxy-N-(2-methoxy-5-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide
CID 1146714
(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone
CID 865126
3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 162421447
3-amino-5-benzoyl-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155812590
3-amino-6-ethoxy-N-phenylthieno[2,3-b]quinoline-2-carboxamide
CID 1156787
3-amino-N-(2-carbamoylphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 3599566
methyl 2-[(3-amino-6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]acetate
CID 155515018
3-amino-5-hydroxy-N-(4-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 155805195
3-amino-N-cyclopentyl-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 856692
3-amino-N-(2-ethoxyphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 3207356

Frequently Asked Questions

What is the IUPAC name of 3-amino-7-methoxy-N-(4-methoxyphenyl)thieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-7-methoxy-N-(4-methoxyphenyl)thieno[2,3-b]quinoline-2-carboxamide (CID 1132039) is 3-amino-7-methoxy-N-(4-methoxyphenyl)thieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-7-methoxy-N-(4-methoxyphenyl)thieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-7-methoxy-N-(4-methoxyphenyl)thieno[2,3-b]quinoline-2-carboxamide is COc1ccc(NC(=O)c2sc3nc4cc(OC)ccc4cc3c2N)cc1.
What is the InChIKey of 3-amino-7-methoxy-N-(4-methoxyphenyl)thieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is CFUFYFIJRAIEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-25-13-7-4-12(5-8-13)22-19(24)18-17(21)15-9-11-3-6-14(26-2)10-16(11)23-20(15)27-18/h3-10H,21H2,1-2H3,(H,22,24).
What are the key properties of 3-amino-7-methoxy-N-(4-methoxyphenyl)thieno[2,3-b]quinoline-2-carboxamide?
3-amino-7-methoxy-N-(4-methoxyphenyl)thieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-methoxy-N-(4-methoxyphenyl)thieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 1132039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).