(3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-ethoxyphenyl)methanone

C24H28N2O2S — CID 23859661

IUPAC(3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2sc3nc4c(cc3c2N)CC(C(C)(C)C)CC4)cc1
InChIInChI=1S/C24H28N2O2S/c1-5-28-17-9-6-14(7-10-17)21(27)22-20(25)18-13-15-12-16(24(2,3)4)8-11-19(15)26-23(18)29-22/h6-7,9-10,13,16H,5,8,11-12,25H2,1-4H3
InChIKeySKNIWMBRTPSUFR-UHFFFAOYSA-N
MW408.57 g/mol
LogP5.66
Rot. Bonds4

About (3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-ethoxyphenyl)methanone

(3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-ethoxyphenyl)methanone (PubChem CID 23859661) has the molecular formula C24H28N2O2S and a molecular weight of 408.57 g/mol. Its IUPAC name is (3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-ethoxyphenyl)methanone
PubChem CID23859661
Molecular FormulaC24H28N2O2S
Molecular Weight408.57 g/mol
Exact Mass408.19
IUPAC Name(3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2sc3nc4c(cc3c2N)CC(C(C)(C)C)CC4)cc1
InChIInChI=1S/C24H28N2O2S/c1-5-28-17-9-6-14(7-10-17)21(27)22-20(25)18-13-15-12-16(24(2,3)4)8-11-19(15)26-23(18)29-22/h6-7,9-10,13,16H,5,8,11-12,25H2,1-4H3
InChIKeySKNIWMBRTPSUFR-UHFFFAOYSA-N
XLogP5.66
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.57
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-ethoxyphenyl)methanone
CID 23971387
ethyl (6R)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
CID 839012
3-amino-6-tert-butyl-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23801376
ethyl 2-[2-[(3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)amino]-1,3-thiazol-5-yl]acetate
CID 4245485
1-[4-[4-(3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 87048523
4-(3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)-3-(4-methylphenyl)oxadiazol-3-ium-5-olate
CID 137258993
3-amino-6-tert-butyl-N-(4-iodo-2-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23832695
3-amino-6-tert-butyl-N-(2,3-dimethylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23774829
3-amino-N-(2,5-dimethoxyphenyl)-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23832789
3-amino-N-(3,5-dimethoxyphenyl)-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23774924
[(6R)-3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,5-dimethoxyphenyl)methanone
CID 1004292
3-amino-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23830170

Frequently Asked Questions

What is the IUPAC name of (3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-ethoxyphenyl)methanone?
The IUPAC name of (3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-ethoxyphenyl)methanone (CID 23859661) is (3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-ethoxyphenyl)methanone.
What is the SMILES notation for (3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-ethoxyphenyl)methanone?
The canonical SMILES for (3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)c2sc3nc4c(cc3c2N)CC(C(C)(C)C)CC4)cc1.
What is the InChIKey of (3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-ethoxyphenyl)methanone?
The InChIKey is SKNIWMBRTPSUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2S/c1-5-28-17-9-6-14(7-10-17)21(27)22-20(25)18-13-15-12-16(24(2,3)4)8-11-19(15)26-23(18)29-22/h6-7,9-10,13,16H,5,8,11-12,25H2,1-4H3.
What are the key properties of (3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-ethoxyphenyl)methanone?
(3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-ethoxyphenyl)methanone has a molecular weight of 408.57 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 23859661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).