3-amino-N-tert-butyl-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide

C18H23N3O2S — CID 3767421

IUPAC3-amino-N-tert-butyl-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCC1(C)CC(=O)c2cc3c(N)c(C(=O)NC(C)(C)C)sc3nc2C1
InChIInChI=1S/C18H23N3O2S/c1-17(2,3)21-15(23)14-13(19)10-6-9-11(20-16(10)24-14)7-18(4,5)8-12(9)22/h6H,7-8,19H2,1-5H3,(H,21,23)
InChIKeyHIQDMCMARCBEKK-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.56
Rot. Bonds1

About 3-amino-N-tert-butyl-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide

3-amino-N-tert-butyl-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 3767421) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 3-amino-N-tert-butyl-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-tert-butyl-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide
PubChem CID3767421
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name3-amino-N-tert-butyl-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCC1(C)CC(=O)c2cc3c(N)c(C(=O)NC(C)(C)C)sc3nc2C1
InChIInChI=1S/C18H23N3O2S/c1-17(2,3)21-15(23)14-13(19)10-6-9-11(20-16(10)24-14)7-18(4,5)8-12(9)22/h6H,7-8,19H2,1-5H3,(H,21,23)
InChIKeyHIQDMCMARCBEKK-UHFFFAOYSA-N
XLogP3.56
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-tert-butyl-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide with MolForge

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Related Compounds

3-amino-7,7-dimethyl-N-(2-methylphenyl)-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide
CID 1330576
3-amino-2-benzoyl-7,7-dimethyl-6,8-dihydrothieno[2,3-b]quinolin-5-one
CID 1326491
3-amino-7,7-dimethyl-2-(pyrrolidine-1-carbonyl)-6,8-dihydrothieno[2,3-b]quinolin-5-one
CID 4651199
3-amino-7,7-dimethyl-N-(2-nitrophenyl)-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide
CID 2941552
3-amino-N-(2-methylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
CID 1387507
3-amino-N-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
CID 1390366
3-amino-N-tert-butyl-6-ethoxythieno[2,3-b]quinoline-2-carboxamide
CID 3207407
3-amino-N-(3-fluorophenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
CID 4906437
3-amino-N-tert-butylthieno[2,3-c]pyridine-2-carboxamide
CID 113269822
3-amino-5-oxo-N-pyridin-2-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
CID 155813416
3-amino-N-(3-bromophenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
CID 155805166
3-amino-2-benzoyl-7,8-dihydro-6H-thieno[2,3-b]quinolin-5-one
CID 797561

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-tert-butyl-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N-tert-butyl-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide (CID 3767421) is 3-amino-N-tert-butyl-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N-tert-butyl-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N-tert-butyl-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide is CC1(C)CC(=O)c2cc3c(N)c(C(=O)NC(C)(C)C)sc3nc2C1.
What is the InChIKey of 3-amino-N-tert-butyl-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is HIQDMCMARCBEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-17(2,3)21-15(23)14-13(19)10-6-9-11(20-16(10)24-14)7-18(4,5)8-12(9)22/h6H,7-8,19H2,1-5H3,(H,21,23).
What are the key properties of 3-amino-N-tert-butyl-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide?
3-amino-N-tert-butyl-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.56, 1 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-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 3767421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).