3-amino-6-ethoxy-N-phenylthieno[2,3-b]quinoline-2-carboxamide

C20H17N3O2S — CID 1156787

IUPAC3-amino-6-ethoxy-N-phenylthieno[2,3-b]quinoline-2-carboxamide
SMILESCCOc1ccc2nc3sc(C(=O)Nc4ccccc4)c(N)c3cc2c1
InChIInChI=1S/C20H17N3O2S/c1-2-25-14-8-9-16-12(10-14)11-15-17(21)18(26-20(15)23-16)19(24)22-13-6-4-3-5-7-13/h3-11H,2,21H2,1H3,(H,22,24)
InChIKeySEWCEMQHMZTTEW-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.68
Rot. Bonds4

About 3-amino-6-ethoxy-N-phenylthieno[2,3-b]quinoline-2-carboxamide

3-amino-6-ethoxy-N-phenylthieno[2,3-b]quinoline-2-carboxamide (PubChem CID 1156787) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 3-amino-6-ethoxy-N-phenylthieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-ethoxy-N-phenylthieno[2,3-b]quinoline-2-carboxamide
PubChem CID1156787
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name3-amino-6-ethoxy-N-phenylthieno[2,3-b]quinoline-2-carboxamide
SMILESCCOc1ccc2nc3sc(C(=O)Nc4ccccc4)c(N)c3cc2c1
InChIInChI=1S/C20H17N3O2S/c1-2-25-14-8-9-16-12(10-14)11-15-17(21)18(26-20(15)23-16)19(24)22-13-6-4-3-5-7-13/h3-11H,2,21H2,1H3,(H,22,24)
InChIKeySEWCEMQHMZTTEW-UHFFFAOYSA-N
XLogP4.68
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-amino-6-ethoxythieno[2,3-b]quinoline-2-carboxylate
CID 865502
3-amino-N-tert-butyl-6-ethoxythieno[2,3-b]quinoline-2-carboxamide
CID 3207407
3-amino-6-ethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide
CID 3207423
3-amino-N-(2-ethoxyphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 3207356
3-amino-7-methoxy-N-(4-methoxyphenyl)thieno[2,3-b]quinoline-2-carboxamide
CID 1132039
3-amino-N-(2-carbamoylphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 3599566
3-amino-7-ethoxy-N-(2-methoxy-5-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide
CID 1146714
3-amino-N-(4-ethoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 20866586
methyl 2-[(3-amino-6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]acetate
CID 155515018
3-amino-5-benzoyl-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155812590
3-amino-N-cyclopentyl-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 856692
3-amino-N-(4-ethoxyphenyl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23745634

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-ethoxy-N-phenylthieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-6-ethoxy-N-phenylthieno[2,3-b]quinoline-2-carboxamide (CID 1156787) is 3-amino-6-ethoxy-N-phenylthieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-6-ethoxy-N-phenylthieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-6-ethoxy-N-phenylthieno[2,3-b]quinoline-2-carboxamide is CCOc1ccc2nc3sc(C(=O)Nc4ccccc4)c(N)c3cc2c1.
What is the InChIKey of 3-amino-6-ethoxy-N-phenylthieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is SEWCEMQHMZTTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-2-25-14-8-9-16-12(10-14)11-15-17(21)18(26-20(15)23-16)19(24)22-13-6-4-3-5-7-13/h3-11H,2,21H2,1H3,(H,22,24).
What are the key properties of 3-amino-6-ethoxy-N-phenylthieno[2,3-b]quinoline-2-carboxamide?
3-amino-6-ethoxy-N-phenylthieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-ethoxy-N-phenylthieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 1156787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).