3-amino-N-(2,4-dibromophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

C18H15Br2N3OS — CID 23888878

IUPAC3-amino-N-(2,4-dibromophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc(Br)cc2Br)sc2nc3c(cc12)CCCC3
InChIInChI=1S/C18H15Br2N3OS/c19-10-5-6-14(12(20)8-10)22-17(24)16-15(21)11-7-9-3-1-2-4-13(9)23-18(11)25-16/h5-8H,1-4,21H2,(H,22,24)
InChIKeyTUKQQFYWJBIPEY-UHFFFAOYSA-N
MW481.21 g/mol
LogP5.53
Rot. Bonds2

About 3-amino-N-(2,4-dibromophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

3-amino-N-(2,4-dibromophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 23888878) has the molecular formula C18H15Br2N3OS and a molecular weight of 481.21 g/mol. Its IUPAC name is 3-amino-N-(2,4-dibromophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,4-dibromophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
PubChem CID23888878
Molecular FormulaC18H15Br2N3OS
Molecular Weight481.21 g/mol
Exact Mass478.93
IUPAC Name3-amino-N-(2,4-dibromophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc(Br)cc2Br)sc2nc3c(cc12)CCCC3
InChIInChI=1S/C18H15Br2N3OS/c19-10-5-6-14(12(20)8-10)22-17(24)16-15(21)11-7-9-3-1-2-4-13(9)23-18(11)25-16/h5-8H,1-4,21H2,(H,22,24)
InChIKeyTUKQQFYWJBIPEY-UHFFFAOYSA-N
XLogP5.53
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.21
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-(2,4-dibromophenyl)-5,6,7,8-tetrahydrothieno[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

Related Compounds

6-amino-N-(3-bromo-2-methylphenyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide
CID 127028958
3-amino-N-(2-fluorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 2059515
6-amino-N-(2,4-dimethoxyphenyl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide
CID 1025275
6-amino-N-(2-ethylphenyl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide
CID 171133147
6-amino-N-pyridin-4-yl-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide
CID 21232440
3-amino-N-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1005081
(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-(4-bromophenyl)methanone
CID 1333149
6-amino-N-(5-fluoro-2-methylphenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide
CID 23916877
6-amino-N-(4-methylphenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide
CID 1023419
6-amino-N-(4-methylphenyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide
CID 839017
(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(3-bromophenyl)methanone
CID 23823851
6-amino-N-(4-chloro-2-methoxyphenyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide
CID 23944808

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4-dibromophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N-(2,4-dibromophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CID 23888878) is 3-amino-N-(2,4-dibromophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2,4-dibromophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N-(2,4-dibromophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is Nc1c(C(=O)Nc2ccc(Br)cc2Br)sc2nc3c(cc12)CCCC3.
What is the InChIKey of 3-amino-N-(2,4-dibromophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is TUKQQFYWJBIPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Br2N3OS/c19-10-5-6-14(12(20)8-10)22-17(24)16-15(21)11-7-9-3-1-2-4-13(9)23-18(11)25-16/h5-8H,1-4,21H2,(H,22,24).
What are the key properties of 3-amino-N-(2,4-dibromophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
3-amino-N-(2,4-dibromophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 481.21 g/mol, XLogP of 5.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,4-dibromophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 23888878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).