3-amino-N-(3-methoxyphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide

C19H17N3O3S — CID 2250489

IUPAC3-amino-N-(3-methoxyphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1cccc(NC(=O)c2sc3nc4c(cc3c2N)C(=O)CCC4)c1
InChIInChI=1S/C19H17N3O3S/c1-25-11-5-2-4-10(8-11)21-18(24)17-16(20)13-9-12-14(22-19(13)26-17)6-3-7-15(12)23/h2,4-5,8-9H,3,6-7,20H2,1H3,(H,21,24)
InChIKeyPGOHPPFOMMRETJ-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.66
Rot. Bonds3

About 3-amino-N-(3-methoxyphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide

3-amino-N-(3-methoxyphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide (PubChem CID 2250489) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 3-amino-N-(3-methoxyphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-methoxyphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
PubChem CID2250489
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name3-amino-N-(3-methoxyphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1cccc(NC(=O)c2sc3nc4c(cc3c2N)C(=O)CCC4)c1
InChIInChI=1S/C19H17N3O3S/c1-25-11-5-2-4-10(8-11)21-18(24)17-16(20)13-9-12-14(22-19(13)26-17)6-3-7-15(12)23/h2,4-5,8-9H,3,6-7,20H2,1H3,(H,21,24)
InChIKeyPGOHPPFOMMRETJ-UHFFFAOYSA-N
XLogP3.66
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-(3-methoxyphenyl)-5-oxo-7,8-dihydro-6H-thieno[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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methoxyphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N-(3-methoxyphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide (CID 2250489) is 3-amino-N-(3-methoxyphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-methoxyphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-methoxyphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide is COc1cccc(NC(=O)c2sc3nc4c(cc3c2N)C(=O)CCC4)c1.
What is the InChIKey of 3-amino-N-(3-methoxyphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is PGOHPPFOMMRETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-25-11-5-2-4-10(8-11)21-18(24)17-16(20)13-9-12-14(22-19(13)26-17)6-3-7-15(12)23/h2,4-5,8-9H,3,6-7,20H2,1H3,(H,21,24).
What are the key properties of 3-amino-N-(3-methoxyphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide?
3-amino-N-(3-methoxyphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methoxyphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 2250489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).