3-amino-N-tert-butyl-6-ethoxythieno[2,3-b]quinoline-2-carboxamide

C18H21N3O2S — CID 3207407

IUPAC3-amino-N-tert-butyl-6-ethoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCCOc1ccc2nc3sc(C(=O)NC(C)(C)C)c(N)c3cc2c1
InChIInChI=1S/C18H21N3O2S/c1-5-23-11-6-7-13-10(8-11)9-12-14(19)15(24-17(12)20-13)16(22)21-18(2,3)4/h6-9H,5,19H2,1-4H3,(H,21,22)
InChIKeyNDTYWBLTIJVNAE-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.96
Rot. Bonds3

About 3-amino-N-tert-butyl-6-ethoxythieno[2,3-b]quinoline-2-carboxamide

3-amino-N-tert-butyl-6-ethoxythieno[2,3-b]quinoline-2-carboxamide (PubChem CID 3207407) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 3-amino-N-tert-butyl-6-ethoxythieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-tert-butyl-6-ethoxythieno[2,3-b]quinoline-2-carboxamide
PubChem CID3207407
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name3-amino-N-tert-butyl-6-ethoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCCOc1ccc2nc3sc(C(=O)NC(C)(C)C)c(N)c3cc2c1
InChIInChI=1S/C18H21N3O2S/c1-5-23-11-6-7-13-10(8-11)9-12-14(19)15(24-17(12)20-13)16(22)21-18(2,3)4/h6-9H,5,19H2,1-4H3,(H,21,22)
InChIKeyNDTYWBLTIJVNAE-UHFFFAOYSA-N
XLogP3.96
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.96
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-6-ethoxy-N-phenylthieno[2,3-b]quinoline-2-carboxamide
CID 1156787
3-amino-6-ethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide
CID 3207423
methyl 2-[(3-amino-6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]acetate
CID 155515018
3-amino-N-(2-ethoxyphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 3207356
3-amino-N-cyclopentyl-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 856692
methyl 3-amino-6-ethylthieno[2,3-b]quinoline-2-carboxylate
CID 855651
3-amino-7-ethoxy-N-(2-methoxy-5-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide
CID 1146714
3-amino-6-methoxy-N-(2-methylcyclohexyl)thieno[2,3-b]quinoline-2-carboxamide
CID 3167506
3-amino-N-(2-carbamoylphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 3599566
3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 23830119
methyl 3-amino-6-fluorothieno[2,3-b]quinoline-2-carboxylate
CID 155568119

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-tert-butyl-6-ethoxythieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N-tert-butyl-6-ethoxythieno[2,3-b]quinoline-2-carboxamide (CID 3207407) is 3-amino-N-tert-butyl-6-ethoxythieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N-tert-butyl-6-ethoxythieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N-tert-butyl-6-ethoxythieno[2,3-b]quinoline-2-carboxamide is CCOc1ccc2nc3sc(C(=O)NC(C)(C)C)c(N)c3cc2c1.
What is the InChIKey of 3-amino-N-tert-butyl-6-ethoxythieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is NDTYWBLTIJVNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-5-23-11-6-7-13-10(8-11)9-12-14(19)15(24-17(12)20-13)16(22)21-18(2,3)4/h6-9H,5,19H2,1-4H3,(H,21,22).
What are the key properties of 3-amino-N-tert-butyl-6-ethoxythieno[2,3-b]quinoline-2-carboxamide?
3-amino-N-tert-butyl-6-ethoxythieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-tert-butyl-6-ethoxythieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 3207407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).